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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12F3N3
Molecular Weight 303.2818
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-METHYLPHENYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1H-1,2,4-TRIAZOLE

SMILES

CC1=C(C=CC=C1)C2=NN=C(N2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChIKey=DYGMEXLJCFIJME-UHFFFAOYSA-N
InChI=1S/C16H12F3N3/c1-10-5-2-3-8-13(10)15-20-14(21-22-15)11-6-4-7-12(9-11)16(17,18)19/h2-9H,1H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C16H12F3N3
Molecular Weight 303.2818
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 08:17:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:17:38 GMT 2023
Record UNII
NJ0V0EOS72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-METHYLPHENYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
1H-1,2,4-TRIAZOLE, 5-(2-METHYLPHENYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
3-(O-TOLYL)-5-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-1H-1,2,4-TRIAZOLE
Common Name English
S-TRIAZOLE, 3-(O-TOLYL)-5-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-
Common Name English
Code System Code Type Description
PUBCHEM
134258
Created by admin on Sat Dec 16 08:17:38 GMT 2023 , Edited by admin on Sat Dec 16 08:17:38 GMT 2023
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CAS
69095-77-8
Created by admin on Sat Dec 16 08:17:38 GMT 2023 , Edited by admin on Sat Dec 16 08:17:38 GMT 2023
PRIMARY
FDA UNII
NJ0V0EOS72
Created by admin on Sat Dec 16 08:17:38 GMT 2023 , Edited by admin on Sat Dec 16 08:17:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID50219140
Created by admin on Sat Dec 16 08:17:38 GMT 2023 , Edited by admin on Sat Dec 16 08:17:38 GMT 2023
PRIMARY