3-(TRIFLUOROMETHYL)BENZOIC ACID

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 3-(TRIFLUOROMETHYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=FQXQBFUUVCDIRK-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides.	2002 Nov 19	12433476
Insulin allosteric behavior: detection, identification, and quantification of allosteric states via 19F NMR.	2005 May 31	15909980

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Patents

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Name

Type

Language

NSC-43025

Preferred Name

English

3-(TRIFLUOROMETHYL)BENZOIC ACID

Systematic Name

English

3-TRIFLUOROMETHYLBENZOATE

Systematic Name

English

M-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-

Systematic Name

English

.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLUIC ACID

Systematic Name

English

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

681250

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Code System

Code

Type

Description

PUBCHEM

9963

PRIMARY

ECHA (EC/EINECS)

207-230-2

PRIMARY

NSC

43025

PRIMARY

CAS

454-92-2

PRIMARY

FDA UNII

930H336M90

PRIMARY

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PARENT (METABOLITE)


					UAZ6V7728S

CINACALCET

SUBSTANCE RECORD


					930H336M90

3-(TRIFLUOROMETHYL)BENZOIC ACID