2,6-Bis(trifluoromethyl)benzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H4F6O2
Molecular Weight	258.1173
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-Bis(trifluoromethyl)benzoic acid

Structure Search

SMILES

OC(=O)C1=C(C=CC=C1C(F)(F)F)C(F)(F)F

InChI

InChIKey=XZNLSDPNMNWCRE-UHFFFAOYSA-N

InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C9H4F6O2
Molecular Weight	258.1173
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 18:56:00 GMT 2025` Edited by `admin` on `Tue Apr 01 18:56:00 GMT 2025`
Record UNII	3VW9D8KD6R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoic acid, 2,6-bis(trifluoromethyl)-

Preferred Name

English

2,6-Bis(trifluoromethyl)benzoic acid

Systematic Name

English

Code System Code Type Description

CAS

24821-22-5

Created by admin on Tue Apr 01 18:56:00 GMT 2025 , Edited by admin on Tue Apr 01 18:56:00 GMT 2025

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FDA UNII

3VW9D8KD6R

Created by admin on Tue Apr 01 18:56:00 GMT 2025 , Edited by admin on Tue Apr 01 18:56:00 GMT 2025

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EPA CompTox

DTXSID40179522

Created by admin on Tue Apr 01 18:56:00 GMT 2025 , Edited by admin on Tue Apr 01 18:56:00 GMT 2025

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ECHA (EC/EINECS)

246-479-1

Created by admin on Tue Apr 01 18:56:00 GMT 2025 , Edited by admin on Tue Apr 01 18:56:00 GMT 2025

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PUBCHEM

90618

Created by admin on Tue Apr 01 18:56:00 GMT 2025 , Edited by admin on Tue Apr 01 18:56:00 GMT 2025

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