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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 4-TRIFLUOROMETHYL BENZOIC ACID

SMILES

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

InChI

InChIKey=SWKPKONEIZGROQ-UHFFFAOYSA-N
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)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
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 05:10:50 UTC 2019
Edited
by admin
on Tue Oct 22 05:10:50 UTC 2019
Record UNII
KA05X8S21Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TRIFLUOROMETHYL BENZOIC ACID
Common Name English
NSC-88327
Code English
TECOVIRIMAT METABOLITE (TFMBA)
Common Name English
BENZOIC ACID, 4-(TRIFLUOROMETHYL)-
Common Name English
TFMBA
Common Name English
Code System Code Type Description
CAS
455-24-3
Created by admin on Tue Oct 22 05:10:50 UTC 2019 , Edited by admin on Tue Oct 22 05:10:50 UTC 2019
PRIMARY
EPA CompTox
455-24-3
Created by admin on Tue Oct 22 05:10:50 UTC 2019 , Edited by admin on Tue Oct 22 05:10:50 UTC 2019
PRIMARY
ECHA (EC/EINECS)
207-242-8
Created by admin on Tue Oct 22 05:10:50 UTC 2019 , Edited by admin on Tue Oct 22 05:10:50 UTC 2019
PRIMARY
PUBCHEM
9966
Created by admin on Tue Oct 22 05:10:50 UTC 2019 , Edited by admin on Tue Oct 22 05:10:50 UTC 2019
PRIMARY
Related Record Type Details
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