3,4-DICHLOROPHENOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4Cl2O
Molecular Weight	163.001
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DICHLOROPHENOL

SMILES

OC1=CC(Cl)=C(Cl)C=C1

InChI

InChIKey=WDNBURPWRNALGP-UHFFFAOYSA-N

InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

HIDE SMILES / InChI

Molecular Formula	C6H4Cl2O
Molecular Weight	163.001
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

Show entries

Title	Date	PubMed
Combination of liquid-phase hollow fiber membrane microextraction with gas chromatography-negative chemical ionization mass spectrometry for the determination of dichlorophenol isomers in water and urine.	2006 Aug 18	17723615
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
A two-hybrid yeast assay to quantify the effects of xenobiotics on retinoid X receptor-mediated gene expression.	2008 Feb 15	18207673
In vitro profiling of endocrine disrupting effects of phenols.	2010 Feb	19765641

Showing 1 to 4 of 4 entries

Patents

Substance Class	Chemical
Record UNII	070FTM6DVF
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3,4-DICHLOROPHENOL

Systematic Name

English

PHENOL, 3,4-DICHLORO-

Systematic Name

English

3,4-DICHLOROPHENOL [HSDB]

Common Name

English

DICHLOROPHENOL, 3,4-

Systematic Name

English

NSC-60648

Code

English

Showing 1 to 5 of 5 entries

Show entries

Code System

Code

Type

Description

CAS

95-77-2

PRIMARY

NSC

60648

PRIMARY

EPA CompTox

DTXSID7025005

PRIMARY

PUBCHEM

7258

PRIMARY

HSDB

4247

PRIMARY

Showing 1 to 5 of 8 entries

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