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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

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

TitleDatePubMed
Polymeric drugs with prolonged sustained delivery of specific anti-aggregant agents for platelets: kinetic analysis of the release mechanism.
2004
Insulin allosteric behavior: detection, identification, and quantification of allosteric states via 19F NMR.
2005 May 31
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:46:35 UTC 2023
Edited
by admin
on Fri Dec 15 17:46:35 UTC 2023
Record UNII
930H336M90
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
Code System Code Type Description
PUBCHEM
9963
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-230-2
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
NSC
43025
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
CAS
454-92-2
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
FDA UNII
930H336M90
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID2041460
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
CHEBI
60695
Created by admin on Fri Dec 15 17:46:35 UTC 2023 , Edited by admin on Fri Dec 15 17:46:35 UTC 2023
PRIMARY
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