2-(TRIFLUOROMETHYL)BENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(TRIFLUOROMETHYL)BENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=FBRJYBGLCHWYOE-UHFFFAOYSA-N

InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors.	2010 Aug 10	20648015

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:26:55 GMT 2023` Edited by `admin` on `Sat Dec 16 09:26:55 GMT 2023`
Record UNII	0R1CK7MZUA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-(TRIFLUOROMETHYL)BENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2-(TRIFLUOROMETHYL)-

Common Name

English

O-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-

Systematic Name

English

.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-O-TOLUIC ACID

Common Name

English

NSC-88326

Code

English

Classification Tree Code System Code

EPA PESTICIDE CODE

690110

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

Code System Code Type Description

FDA UNII

0R1CK7MZUA

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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ECHA (EC/EINECS)

207-093-9

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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EPA CompTox

DTXSID90870537

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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NSC

88326

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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PUBCHEM

9899

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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CAS

433-97-6

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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CHEBI

60694

Created by admin on Sat Dec 16 09:26:55 GMT 2023 , Edited by admin on Sat Dec 16 09:26:55 GMT 2023

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