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
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 3 of 3 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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