3-(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 3-(TRIFLUOROMETHYL)BENZOIC ACID

Structure Search

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

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:46:35 GMT 2023` Edited by `admin` on `Fri Dec 15 17:46:35 GMT 2023`
Record UNII	930H336M90
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

M-(TRIFLUOROMETHYL)BENZOIC ACID

Systematic Name

English

NSC-43025

Code

English

BENZOIC ACID, 3-(TRIFLUOROMETHYL)-

Systematic Name

English

TRIFLUOROMETHYL)BENZOIC ACID, M-(

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

681250

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

Code System Code Type Description

PUBCHEM

9963

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

ECHA (EC/EINECS)

207-230-2

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

NSC

43025

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

CAS

454-92-2

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

FDA UNII

930H336M90

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

EPA CompTox

DTXSID2041460

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

CHEBI

60695

Created by admin on Fri Dec 15 17:46:35 GMT 2023 , Edited by admin on Fri Dec 15 17:46:35 GMT 2023

PRIMARY

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