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Aromatic Oxygenates Exploration

Compounds Ordered by Br, C, Cl, F, H, N, O


Representation of Furan
Formula : C4H4O
Name : Furan
CAS : 110-00-9
Smiles :C1=CC=CO1
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
Br reactions
NO3 reactions
O3 reactions
OH reactions


Representation of 4,4,4-trifluorobutanal
Formula : CF3CH2CH2CHO
Name : 4,4,4-trifluorobutanal
CAS : 406-87-1
Smiles :FC(F)(F)CCC=O
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
Cl reactions
OH reactions


Representation of Furan-2-aldehyde
Formula : C5H4O2
Name : Furan-2-aldehyde
CAS : 98-01-1
Smiles :O=CC(OC=C1)=C1
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
Br reactions
OH reactions


Representation of Furan-3-aldehyde
Formula : C5H4O2
Name : Furan-3-aldehyde
CAS : 498-60-2
Smiles :O=Cc1ccoc1
InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
OH reactions


Representation of 2-Methylfuran
Formula : C5H6O
Name : 2-Methylfuran
CAS : 534-22-5
Smiles :O1C(C)=CC=C1
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
Br reactions
OH reactions


Representation of 3-Methylfuran
Formula : C5H6O
Name : 3-Methylfuran
CAS : 930-27-8
Smiles :Cc1ccoc1
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
NO3 reactions
O3 reactions


Representation of oxepin/benzene oxide
Formula : C6H6O
Name : oxepin/benzene oxide
CAS : 291-70-3
Smiles :C1=CC=COC=C1
InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H
NO3 reactions
OH reactions


Representation of Phenol
Formula : C6H5OH
Name : Phenol
CAS : 108-95-2
Smiles :Oc(cccc1)c1
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
NO3 reactions
OH reactions


Representation of 5-Methylfurfural
Formula : C6H6O2
Name : 5-Methylfurfural
CAS : 620-02-0
Smiles :O=CC(OC(=C1)C)=C1
InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
Br reactions
OH reactions


Representation of benzene-1,2-diol
Formula : C6H6O2
Name : benzene-1,2-diol
CAS : 120-80-9
Smiles :OC1=C(C=CC=C1)O
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
O3 reactions


Representation of 2,5-dimethylfuran
Formula : C6H8O
Name : 2,5-dimethylfuran
CAS : 625-86-5
Smiles :O1C(C)=CC=C1C
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
Br reactions
OH reactions


Representation of 2-Ethylfuran
Formula : C6H8O
Name : 2-Ethylfuran
CAS : 3208-16-0
Smiles :O1C=CC=C1CC
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
OH reactions


Representation of Benzaldehyde
Formula : C6H5CHO
Name : Benzaldehyde
CAS : 100-52-7
Smiles :O=Cc(cccc1)c1
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Cl reactions
NO3 reactions
OH reactions


Representation of Benzyl Alcohol
Formula : C6H5CH2OH
Name : Benzyl Alcohol
CAS : 100-51-6
Smiles :C1(=CC=CC=C1)O[H]
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
O3 reactions
OH reactions


Representation of m-Cresol
Formula : CH3C6H4OH
Name : m-Cresol
CAS : 108-39-4
Smiles :Oc(cccc1C)c1
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
NO3 reactions
O3 reactions
OH reactions


Representation of Methoxybenzene
Formula : CH3OC6H5
Name : Methoxybenzene
CAS : 100-66-3
Smiles :O(c(cccc1)c1)C
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
NO3 reactions
OH reactions


Representation of o-Cresol
Formula : CH3C6H4OH
Name : o-Cresol
CAS : 95-48-7
Smiles :Oc(c(ccc1)C)c1
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
NO3 reactions
O3 reactions
OH reactions


Representation of p-Cresol
Formula : CH3C6H4OH
Name : p-Cresol
CAS : 106-44-5
Smiles :Oc(ccc(c1)C)c1
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
NO3 reactions
O3 reactions
OH reactions


Representation of 3-methylbenzene-1,2-diol
Formula : C7H8O2
Name : 3-methylbenzene-1,2-diol
CAS : 488-17-5
Smiles :CC1=C(C(=CC=C1)O)O
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
O3 reactions


Representation of 4-methylcatechol
Formula : C7H8O2
Name : 4-methylcatechol
CAS : 452-86-8
Smiles :C1(=C(C=CC(=C1)C)O)O
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
O3 reactions


Representation of m-Tolualdehyde
Formula : CH3C6H4CHO
Name : m-Tolualdehyde
CAS : 620-23-5
Smiles :O=Cc(cccc1C)c1
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
Cl reactions
NO3 reactions
OH reactions


Representation of o-Tolualdehyde
Formula : CH3C6H4CHO
Name : o-Tolualdehyde
CAS : 529-20-4
Smiles :Cc1ccccc1C=O
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
Cl reactions
NO3 reactions
OH reactions


Representation of p-Tolualdehyde
Formula : CH3C6H4CHO
Name : p-Tolualdehyde
CAS : 104-87-0
Smiles :O=Cc(ccc(c1)C)c1
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Cl reactions
NO3 reactions
OH reactions


Representation of 2,3-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 2,3-dimethylphenol
CAS : 526-75-0
Smiles :Oc(c(c(cc1)C)C)c1
InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
OH reactions


Representation of 2,4-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 2,4-dimethylphenol
CAS : 105-67-9
Smiles :Oc(c(cc(c1)C)C)c1
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
OH reactions


Representation of 2,5-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 2,5-dimethylphenol
CAS : 95-87-4
Smiles :Oc(c(ccc1C)C)c1
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
OH reactions


Representation of 2,6-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 2,6-dimethylphenol
CAS : 576-26-1
Smiles :Oc(c(ccc1)C)c1C
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
OH reactions


Representation of 3,4-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 3,4-dimethylphenol
CAS : 95-65-8
Smiles :Oc(ccc(c1C)C)c1
InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
OH reactions


Representation of 3,5-dimethylphenol
Formula : (CH3)2C6H3OH
Name : 3,5-dimethylphenol
CAS : 108-68-9
Smiles :Oc(cc(cc1C)C)c1
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
OH reactions


Representation of Trans-cinnamaldehyde
Formula : C6H5CH=CHCHO
Name : Trans-cinnamaldehyde
CAS : 104-55-2
Smiles :O=CC=Cc(cccc1)c1
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
NO3 reactions
O3 reactions
OH reactions


Representation of 2,3-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 2,3-dimethylbenzaldehyde
CAS : 5779-93-1
Smiles :C1(=CC=CC(=C1C)C)C=O
InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3
OH reactions


Representation of 2,4-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 2,4-dimethylbenzaldehyde
CAS : 15764-16-6
Smiles :c(cc(c1C)C(=O))c(c1)C
InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
Cl reactions
OH reactions


Representation of 2,5-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 2,5-dimethylbenzaldehyde
CAS : 5779-94-2
Smiles :c(cc(C)c1C=O)c(c1)C
InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
Cl reactions
OH reactions


Representation of 2,6-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 2,6-dimethylbenzaldehyde
CAS : 1123-56-4
Smiles :C1(=C(C=CC=C1C)C)C=O
InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
OH reactions


Representation of 3,4-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 3,4-dimethylbenzaldehyde
CAS : 5973-71-7
Smiles :c(cc(c1)C=O)c(c1C)C
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
OH reactions


Representation of 3,5-dimethylbenzaldehyde
Formula : (CH3)2C6H3CHO
Name : 3,5-dimethylbenzaldehyde
CAS : 5779-95-3
Smiles :C1(=CC(=CC(=C1)C)C)C=O
InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
Cl reactions
OH reactions


Representation of 2,3,5-trimethylphenol
Formula : (CH3)3C6H2OH
Name : 2,3,5-trimethylphenol
CAS : 697-82-5
Smiles :Oc(c(c(cc1C)C)C)c1
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
OH reactions


Representation of 2,3,6-trimethylphenol
Formula : (CH3)3C6H2OH
Name : 2,3,6-trimethylphenol
CAS : 2416-94-6
Smiles :Oc(c(ccc1C)C)c1C
InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
OH reactions


Representation of 2,4,6-trimethylphenol
Formula : (CH3)3C6H2OH
Name : 2,4,6-trimethylphenol
CAS : 527-60-6
Smiles :Oc(c(cc(c1)C)C)c1C
InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
OH reactions


Representation of 1,4-Naphthoquinone
Formula : C10H6O2
Name : 1,4-Naphthoquinone
CAS : 130-15-4
Smiles :O=C2C=CC(C1=CC=CC=C12)=O
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
NO3 reactions
O3 reactions
OH reactions
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