3-CHLOROCATECHOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H5ClO2
Molecular Weight	144.556
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLOROCATECHOL

SMILES

OC1=CC=CC(Cl)=C1O

InChI

InChIKey=GQKDZDYQXPOXEM-UHFFFAOYSA-N

InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H

HIDE SMILES / InChI

Molecular Formula	C6H5ClO2
Molecular Weight	144.556
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Ferredoxin-mediated reactivation of the chlorocatechol 2,3-dioxygenase from Pseudomonas putida GJ31.	2002 Apr	11889489
TfdD(II), one of the two chloromuconate cycloisomerases of Ralstonia eutropha JMP134 (pJP4), cannot efficiently convert 2-chloro- cis, cis-muconate to trans-dienelactone to allow growth on 3-chlorobenzoate.	2002 Jul	12070765
Substrate-dependent autoaggregation of Pseudomonas putida CP1 during the degradation of mono-chlorophenols and phenol.	2002 Jun	12032804
The copy number of the catabolic plasmid pJP4 affects growth of Ralstonia eutropha JMP134 (pJP4) on 3-chlorobenzoate.	2002 Jun 18	12076793
The use of mutants to discern the degradation pathway of 3,4'-dichlorobiphenyl in Pseudomonas acidovorans M3GY.	2002 Oct 1	19709267

Showing 1 to 5 of 22 entries

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Substance Class	Chemical
Record UNII	0Z3E1G971E
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3-CHLOROCATECHOL

Systematic Name

English

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

CHEBI

27715

PRIMARY

PUBCHEM

19928

PRIMARY

CAS

4018-65-9

PRIMARY

EPA CompTox

DTXSID80193181

PRIMARY

FDA UNII

0Z3E1G971E

PRIMARY

Showing 1 to 5 of 5 entries