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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5F3N2O
Molecular Weight 214.144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZALDEHYDE

SMILES

FC(F)(F)C1(N=N1)C2=CC=C(C=O)C=C2

InChI

InChIKey=MLXUIWNFGIROFY-UHFFFAOYSA-N
InChI=1S/C9H5F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-5H

HIDE SMILES / InChI

Molecular Formula C9H5F3N2O
Molecular Weight 214.144
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:08 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:08 GMT 2023
Record UNII
I9Y0SS65WG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZALDEHYDE
Systematic Name English
BENZALDEHYDE, 4-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)-
Common Name English
Code System Code Type Description
FDA UNII
I9Y0SS65WG
Created by admin on Sat Dec 16 15:32:08 GMT 2023 , Edited by admin on Sat Dec 16 15:32:08 GMT 2023
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CAS
128886-88-4
Created by admin on Sat Dec 16 15:32:08 GMT 2023 , Edited by admin on Sat Dec 16 15:32:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00462649
Created by admin on Sat Dec 16 15:32:08 GMT 2023 , Edited by admin on Sat Dec 16 15:32:08 GMT 2023
PRIMARY
PUBCHEM
11333359
Created by admin on Sat Dec 16 15:32:08 GMT 2023 , Edited by admin on Sat Dec 16 15:32:08 GMT 2023
PRIMARY