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Details

Stereochemistry ACHIRAL
Molecular Formula C8H3F3N2O2
Molecular Weight 216.1168
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C#N

InChI

InChIKey=BQCWLXXZTCLGSZ-UHFFFAOYSA-N
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

HIDE SMILES / InChI

Molecular Formula C8H3F3N2O2
Molecular Weight 216.1168
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:05:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:05:29 GMT 2023
Record UNII
E6Z0MKD079
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
P-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-
Systematic Name English
NSC-88323
Code English
BENZONITRILE, 2-NITRO-4-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
NSC
88323
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-298-1
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
PRIMARY
CAS
778-94-9
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
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FDA UNII
E6Z0MKD079
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID40228423
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
PRIMARY
PUBCHEM
69902
Created by admin on Sat Dec 16 11:05:29 GMT 2023 , Edited by admin on Sat Dec 16 11:05:29 GMT 2023
PRIMARY