5-Chloroisophthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5ClO4
Molecular Weight	200.576
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Chloroisophthalic acid

Structure Search

SMILES

OC(=O)C1=CC(=CC(Cl)=C1)C(O)=O

InChI

InChIKey=PLPFTLXIQQYOMW-UHFFFAOYSA-N

InChI=1S/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H5ClO4
Molecular Weight	200.576
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:20:55 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:55 GMT 2025`
Record UNII	TP7WMC5PER
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Benzenedicarboxylic acid, 5-chloro-

Preferred Name

English

5-Chloroisophthalic acid

Systematic Name

English

5-Chloro-1,3-benzenedicarboxylic acid

Systematic Name

English

3-Carboxy-5-chlorobenzoic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

218-468-1

Created by admin on Tue Apr 01 19:20:55 GMT 2025 , Edited by admin on Tue Apr 01 19:20:55 GMT 2025

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EPA CompTox

DTXSID5062217

Created by admin on Tue Apr 01 19:20:55 GMT 2025 , Edited by admin on Tue Apr 01 19:20:55 GMT 2025

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FDA UNII

TP7WMC5PER

Created by admin on Tue Apr 01 19:20:55 GMT 2025 , Edited by admin on Tue Apr 01 19:20:55 GMT 2025

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PUBCHEM

75086

Created by admin on Tue Apr 01 19:20:55 GMT 2025 , Edited by admin on Tue Apr 01 19:20:55 GMT 2025

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CAS

2157-39-3

Created by admin on Tue Apr 01 19:20:55 GMT 2025 , Edited by admin on Tue Apr 01 19:20:55 GMT 2025

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