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82308-56-3 | 1H-Imidazole-5-carboxamide,4-cyano-2-(trifluoromethyl)-
CAS No: 82308-56-3 Catalog No: AG005GHH MDL No:
Product Description
Catalog Number:
AG005GHH
Chemical Name:
1H-Imidazole-5-carboxamide,4-cyano-2-(trifluoromethyl)-
CAS Number:
82308-56-3
Molecular Formula:
C6H3F3N4O
Molecular Weight:
204.1094
IUPAC Name:
4-cyano-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-2(1-10)3(13-5)4(11)14/h(H2,11,14)(H,12,13)
InChI Key:
VUHSLHQBYWUCFW-UHFFFAOYSA-N
SMILES:
N#Cc1nc([nH]c1C(=O)N)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.112g/mol
Monoisotopic Mass:
204.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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