3-BROMO-P-TOLUIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7BrO2
Molecular Weight	215.044
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-BROMO-P-TOLUIC ACID

Structure Search

SMILES

CC1=CC=C(C=C1Br)C(O)=O

InChI

InChIKey=ZFJOMUKPDWNRFI-UHFFFAOYSA-N

InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C8H7BrO2
Molecular Weight	215.044
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 19:42:54 GMT 2025` Edited by `admin` on `Tue Apr 01 19:42:54 GMT 2025`
Record UNII	R2RQS96EGB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-BROMO-P-TOLUIC ACID

Common Name

English

3-BROMO-4-METHYLBENZOIC ACID

Preferred Name

English

NSC-243715

Code

English

P-TOLUIC ACID, 3-BROMO-

Common Name

English

BENZOIC ACID, 3-BROMO-4-METHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

231-712-1

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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PUBCHEM

82130

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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FDA UNII

R2RQS96EGB

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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EPA CompTox

DTXSID60227751

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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NSC

243715

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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CAS

7697-26-9

Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025

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