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


Chemical Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CAS Number: 120068-79-3
Product Number: AG000Q7Z(AGN-PC-0KS3MR)
Synonyms:
MDL No: MFCD00227537
Molecular Formula: C11H5Cl2F3N4
Molecular Weight: 321.0854

Identification/Properties


Properties
MP:
117 - 118 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
321.084g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
319.984g/mol
Monoisotopic Mass:
319.984g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
398
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


Other Analytical Data


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