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Details

Stereochemistry ACHIRAL
Molecular Formula C12H4Cl2F6N4
Molecular Weight 389.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RPA-97801

SMILES

NC1=C(C#N)C(=NN1C2=C(Cl)C=C(C=C2Cl)C(F)(F)F)C(F)(F)F

InChI

InChIKey=ZUSSXGHWQGZELT-UHFFFAOYSA-N
InChI=1S/C12H4Cl2F6N4/c13-6-1-4(11(15,16)17)2-7(14)8(6)24-10(22)5(3-21)9(23-24)12(18,19)20/h1-2H,22H2

HIDE SMILES / InChI

Molecular Formula C12H4Cl2F6N4
Molecular Weight 389.083
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 Mon Mar 31 22:22:02 GMT 2025
Edited
by admin
on Mon Mar 31 22:22:02 GMT 2025
Record UNII
3X8M9W38EO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RPA-97801
Common Name English
RPA97801
Preferred Name English
5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBONITRILE
Systematic Name English
1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
3X8M9W38EO
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
PUBCHEM
10134900
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
CAS
111246-15-2
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID30869541
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY