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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7F3O2
Molecular Weight 204.1459
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-(trifluoromethyl)benzoate

SMILES

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

InChI

InChIKey=VAZWXPJOOFSNLB-UHFFFAOYSA-N
InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Methoxycarbonylbenzotrifluoride
Preferred Name English
Methyl 4-(trifluoromethyl)benzoate
Systematic Name English
p-Toluic acid, ?,?,?-trifluoro-, methyl ester
Systematic Name English
4-Trifluoromethylbenzoic acid methyl ester
Systematic Name English
Benzoic acid, 4-(trifluoromethyl)-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
520447
Created by admin on Wed Apr 02 19:16:49 GMT 2025 , Edited by admin on Wed Apr 02 19:16:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID60334353
Created by admin on Wed Apr 02 19:16:49 GMT 2025 , Edited by admin on Wed Apr 02 19:16:49 GMT 2025
PRIMARY
FDA UNII
7N7Z9DHH5P
Created by admin on Wed Apr 02 19:16:49 GMT 2025 , Edited by admin on Wed Apr 02 19:16:49 GMT 2025
PRIMARY
CAS
2967-66-0
Created by admin on Wed Apr 02 19:16:49 GMT 2025 , Edited by admin on Wed Apr 02 19:16:49 GMT 2025
PRIMARY
NIH
NCATS
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