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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,896 – 2,910 of 78,615 results
2,896

1-Phenoxy-2-propanol, tech. 85%

CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1

PubChem CID 92839
CAS 770-35-4
Molecular Weight (g/mol) 152.19
MDL Number MFCD00016861
SMILES CC(O)COC1=CC=CC=C1
Synonym 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312
IUPAC Name 1-phenoxypropan-2-ol
InChI Key IBLKWZIFZMJLFL-UHFFFAOYNA-N
Molecular Formula C9H12O2
2,897

3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

PubChem CID 2733314
CAS 16588-74-2
Molecular Weight (g/mol) 255.119
MDL Number MFCD00013559
SMILES C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate
IUPAC Name 1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key NRSSOFNMWSJECS-UHFFFAOYSA-N
Molecular Formula C9H3F6NO
2,898

p-Acetotoluidide, 99%

CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

PubChem CID 7684
CAS 103-89-9
Molecular Weight (g/mol) 149.19
MDL Number MFCD00008677
SMILES CC1=CC=C(C=C1)NC(=O)C
Synonym 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide
IUPAC Name N-(4-methylphenyl)acetamide
InChI Key YICAMJWHIUMFDI-UHFFFAOYSA-N
Molecular Formula C9H11NO
2,899

7,12-Dimethylbenz[a]anthracene, 98%

CAS: 57-97-6 Molecular Formula: C20H16 Molecular Weight (g/mol): 256.34 MDL Number: MFCD00003600 InChI Key: ARSRBNBHOADGJU-UHFFFAOYSA-N Synonym: dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene PubChem CID: 6001 ChEBI: CHEBI:254496 IUPAC Name: 7,12-dimethylbenzo[a]anthracene SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C

PubChem CID 6001
CAS 57-97-6
Molecular Weight (g/mol) 256.34
ChEBI CHEBI:254496
MDL Number MFCD00003600
SMILES CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
Synonym dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene
IUPAC Name 7,12-dimethylbenzo[a]anthracene
InChI Key ARSRBNBHOADGJU-UHFFFAOYSA-N
Molecular Formula C20H16
2,900

p-Cresol, 99+%, pure

CAS: 106-44-5 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002376 InChI Key: IWDCLRJOBJJRNH-UHFFFAOYSA-N Synonym: p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene PubChem CID: 2879 ChEBI: CHEBI:17847 IUPAC Name: 4-methylphenol SMILES: CC1=CC=C(C=C1)O

PubChem CID 2879
CAS 106-44-5
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17847
MDL Number MFCD00002376
SMILES CC1=CC=C(C=C1)O
Synonym p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene
IUPAC Name 4-methylphenol
InChI Key IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molecular Formula C7H8O
2,901

3-Methylbenzyl bromide, 97%

CAS: 620-13-3 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000177 InChI Key: FWLWTILKTABGKQ-UHFFFAOYSA-N Synonym: 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo PubChem CID: 12099 IUPAC Name: 1-(bromomethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CBr

PubChem CID 12099
CAS 620-13-3
Molecular Weight (g/mol) 185.064
MDL Number MFCD00000177
SMILES CC1=CC(=CC=C1)CBr
Synonym 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo
IUPAC Name 1-(bromomethyl)-3-methylbenzene
InChI Key FWLWTILKTABGKQ-UHFFFAOYSA-N
Molecular Formula C8H9Br
2,902

Pentafluorophenyl trifluoroacetate, 98+%

CAS: 14533-84-7 Molecular Formula: C8F8O2 Molecular Weight (g/mol): 280.07 MDL Number: MFCD00134438 InChI Key: VCQURUZYYSOUHP-UHFFFAOYSA-N Synonym: pentafluorophenyl trifluoroacetate,perfluorophenyl 2,2,2-trifluoroacetate,trifluoroacetic acid pentafluorophenyl ester,pentafluorphenyl trifluoracetate,pentafluorophenyltrifluoroacetate,pentafluorophenyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, pentafluorophenyl ester,acetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester,ambotzrl-1046,acmc-1bui8 PubChem CID: 4327891 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C(OC(=O)C(F)(F)F)C(F)=C1F

PubChem CID 4327891
CAS 14533-84-7
Molecular Weight (g/mol) 280.07
MDL Number MFCD00134438
SMILES FC1=C(F)C(F)=C(OC(=O)C(F)(F)F)C(F)=C1F
Synonym pentafluorophenyl trifluoroacetate,perfluorophenyl 2,2,2-trifluoroacetate,trifluoroacetic acid pentafluorophenyl ester,pentafluorphenyl trifluoracetate,pentafluorophenyltrifluoroacetate,pentafluorophenyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, pentafluorophenyl ester,acetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester,ambotzrl-1046,acmc-1bui8
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
InChI Key VCQURUZYYSOUHP-UHFFFAOYSA-N
Molecular Formula C8F8O2
2,903

3,5-Di-tert-butylcatechol, 99%

CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

PubChem CID 66099
CAS 1020-31-1
Molecular Weight (g/mol) 222.328
MDL Number MFCD00008819
SMILES CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name 3,5-ditert-butylbenzene-1,2-diol
InChI Key PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula C14H22O2
2,904

2-Nitrophenylhydrazine, 97%, moistened with ca 30% water

CAS: 3034-19-3 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007577 InChI Key: FRBUNLLUASHNDJ-UHFFFAOYSA-N Synonym: 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine PubChem CID: 3314739 IUPAC Name: (2-nitrophenyl)hydrazine SMILES: C1=CC=C(C(=C1)NN)[N+](=O)[O-]

PubChem CID 3314739
CAS 3034-19-3
Molecular Weight (g/mol) 153.14
MDL Number MFCD00007577
SMILES C1=CC=C(C(=C1)NN)[N+](=O)[O-]
Synonym 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine
IUPAC Name (2-nitrophenyl)hydrazine
InChI Key FRBUNLLUASHNDJ-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
2,905

4-Nitrobenzoic acid, 99+%

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
2,906

3-Methylbenzyl chloride, 98%

CAS: 620-19-9 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000909 InChI Key: LZBOHNCMCCSTJX-UHFFFAOYSA-N Synonym: 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl PubChem CID: 12102 IUPAC Name: 1-(chloromethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CCl

PubChem CID 12102
CAS 620-19-9
Molecular Weight (g/mol) 140.61
MDL Number MFCD00000909
SMILES CC1=CC(=CC=C1)CCl
Synonym 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl
IUPAC Name 1-(chloromethyl)-3-methylbenzene
InChI Key LZBOHNCMCCSTJX-UHFFFAOYSA-N
Molecular Formula C8H9Cl
2,907

4-Methoxyphenylacetonitrile, 98%

CAS: 104-47-2 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001919 InChI Key: PACGLQCRGWFBJH-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile PubChem CID: 66031 IUPAC Name: 2-(4-methoxyphenyl)acetonitrile SMILES: COC1=CC=C(C=C1)CC#N

PubChem CID 66031
CAS 104-47-2
Molecular Weight (g/mol) 147.177
MDL Number MFCD00001919
SMILES COC1=CC=C(C=C1)CC#N
Synonym 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile
IUPAC Name 2-(4-methoxyphenyl)acetonitrile
InChI Key PACGLQCRGWFBJH-UHFFFAOYSA-N
Molecular Formula C9H9NO
2,908

3,4-Dichlorobenzyl chloride, 98+%

CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl

PubChem CID 7609
CAS 102-47-6
Molecular Weight (g/mol) 195.47
MDL Number MFCD00000906
SMILES C1=CC(=C(C=C1CCl)Cl)Cl
Synonym 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro
IUPAC Name 1,2-dichloro-4-(chloromethyl)benzene
InChI Key YZIFVWOCPGPNHB-UHFFFAOYSA-N
Molecular Formula C7H5Cl3
2,909

Econazole nitrate

CAS: 24169-02-6 Molecular Formula: C18H16Cl3N3O4 Molecular Weight (g/mol): 444.693 MDL Number: MFCD00058160 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N Synonym: econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 PubChem CID: 68589 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

PubChem CID 68589
CAS 24169-02-6
Molecular Weight (g/mol) 444.693
MDL Number MFCD00058160
SMILES C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
Synonym econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150
IUPAC Name 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI Key DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Formula C18H16Cl3N3O4
2,910

2-Iodobenzyl alcohol, 99%

CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

PubChem CID 107629
CAS 5159-41-1
Molecular Weight (g/mol) 234.04
MDL Number MFCD00004610
SMILES C1=CC=C(C(=C1)CO)I
Synonym 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name (2-iodophenyl)methanol
InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula C7H7IO