1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-
CAS Number: 205650-65-3
Product Number: AG002A91(AGN-PC-0QVIAG)
Synonyms:
MDL No:
Molecular Formula: C12H4Cl2F6N4
Molecular Weight: 389.0834

Identification/Properties


Computed Properties
Molecular Weight:
389.082g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
1
Exact Mass:
387.972g/mol
Monoisotopic Mass:
387.972g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
506
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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