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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5F3N2O2
Molecular Weight 230.1434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-TRIFLUOROMETHYLDIAZIRINO)BENZOIC ACID

SMILES

OC(=O)C1=CC=C(C=C1)C2(N=N2)C(F)(F)F

InChI

InChIKey=CZPAJVBVULSLGG-UHFFFAOYSA-N
InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOATE
Preferred Name English
4-(3-TRIFLUOROMETHYLDIAZIRINO)BENZOIC ACID
Common Name English
BENZOIC ACID, 4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)-
Systematic Name English
4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
128718
Created by admin on Wed Apr 02 06:26:16 GMT 2025 , Edited by admin on Wed Apr 02 06:26:16 GMT 2025
PRIMARY
CAS
85559-46-2
Created by admin on Wed Apr 02 06:26:16 GMT 2025 , Edited by admin on Wed Apr 02 06:26:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID00234747
Created by admin on Wed Apr 02 06:26:16 GMT 2025 , Edited by admin on Wed Apr 02 06:26:16 GMT 2025
PRIMARY
FDA UNII
ES9VAY6FMP
Created by admin on Wed Apr 02 06:26:16 GMT 2025 , Edited by admin on Wed Apr 02 06:26:16 GMT 2025
PRIMARY
NIH
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