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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6F3NO2
Molecular Weight 205.1339
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-4-nitro-2-(trifluoromethyl)benzene

SMILES

CC1=CC=C(C=C1C(F)(F)F)[N+]([O-])=O

InChI

InChIKey=SVQCVQCIZWSPPX-UHFFFAOYSA-N
InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6F3NO2
Molecular Weight 205.1339
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 19:48:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:43 GMT 2023
Record UNII
8GZW6C8KXQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methyl-4-nitro-2-(trifluoromethyl)benzene
Systematic Name English
1-Methyl-4-nitro-2-trifluoromethylbenzene
Systematic Name English
Benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-
Systematic Name English
2-(Trifluoromethyl)-4-nitrotoluene
Systematic Name English
2-Methyl-5-nitrobenzotrifluoride
Systematic Name English
o-Xylene, α<sup>1</sup>,α<sup>1</sup>,α<sup>1</sup>-trifluoro-5-nitro-
Systematic Name English
Code System Code Type Description
CAS
89976-12-5
Created by admin on Sat Dec 16 19:48:43 GMT 2023 , Edited by admin on Sat Dec 16 19:48:43 GMT 2023
PRIMARY
PUBCHEM
2775447
Created by admin on Sat Dec 16 19:48:43 GMT 2023 , Edited by admin on Sat Dec 16 19:48:43 GMT 2023
PRIMARY
FDA UNII
8GZW6C8KXQ
Created by admin on Sat Dec 16 19:48:43 GMT 2023 , Edited by admin on Sat Dec 16 19:48:43 GMT 2023
PRIMARY