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89608-64-0 | 1H-Imidazole-4-carboxamide, 5-amino-N-phenyl-
CAS No: 89608-64-0 Catalog No: AG003YQ4 MDL No:
Product Description
Catalog Number:
AG003YQ4
Chemical Name:
1H-Imidazole-4-carboxamide, 5-amino-N-phenyl-
CAS Number:
89608-64-0
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
IUPAC Name:
4-amino-N-phenyl-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C10H10N4O/c11-9-8(12-6-13-9)10(15)14-7-4-2-1-3-5-7/h1-6H,11H2,(H,12,13)(H,14,15)
InChI Key:
NHVGLHQCNARYMV-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1N)Nc1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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