2-Bromo-4-(trifluoromethyl)benzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.015
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Bromo-4-(trifluoromethyl)benzoic acid

Structure Search

SMILES

OC(=O)C1=CC=C(C=C1Br)C(F)(F)F

InChI

InChIKey=SINIIFNWZPCJGU-UHFFFAOYSA-N

InChI=1S/C8H4BrF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C8H4BrF3O2
Molecular Weight	269.015
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 20:31:24 GMT 2025` Edited by `admin` on `Tue Apr 01 20:31:24 GMT 2025`
Record UNII	55F6F4XX8G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Bromo-4-(trifluoromethyl)benzoic acid

Systematic Name

English

Benzoic acid, 2-bromo-4-(trifluoromethyl)-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

206-339-2

Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025

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CAS

328-89-2

Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025

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PUBCHEM

67605

Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025

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EPA CompTox

DTXSID40186473

Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025

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FDA UNII

55F6F4XX8G

Created by admin on Tue Apr 01 20:31:24 GMT 2025 , Edited by admin on Tue Apr 01 20:31:24 GMT 2025

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