43M

4-CHLORO-3-METHYLPHENOL

Created:	2007-04-16
Last modified:	2011-06-04

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1 entries where 43M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 43M

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Chemical Component Summary
Name	4-CHLORO-3-METHYLPHENOL
Systematic Name (OpenEye OEToolkits)	4-chloro-3-methyl-phenol
Formula	C₇ H₇ Cl O
Molecular Weight	142.583
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(O)cc1C
SMILES	CACTVS	3.341	Cc1cc(O)ccc1Cl
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1Cl)O
Canonical SMILES	CACTVS	3.341	Cc1cc(O)ccc1Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(ccc1Cl)O
InChI	InChI	1.03	InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey	InChI	1.03	CFKMVGJGLGKFKI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16864
Name	Chlorocresol
Groups	investigational
Synonyms	Chlorocresol 3-Methyl-4-chlorophenol 4-Chloro-3-methyl phenol p-Chloro-m-cresol
Categories	Agrochemicals Benzene Derivatives Chlorobenzenes Compounds used in a research, industrial, or household setting Fungicides, Industrial Pesticides Phenols Toxic Actions
CAS number	59-50-7

Related Resource References

Resource Name	Reference
PubChem	1732
ChEMBL	CHEMBL1230222
ChEBI	CHEBI:34395
CCDC/CSD	EKEPAL
COD	2013407

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