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89608-60-6 | 4H-Imidazole-5-carboxamide, 4-diazo-2-phenyl-
CAS No: 89608-60-6 Catalog No: AG003YQ6 MDL No:
Product Description
Catalog Number:
AG003YQ6
Chemical Name:
4H-Imidazole-5-carboxamide, 4-diazo-2-phenyl-
CAS Number:
89608-60-6
Molecular Formula:
C10H7N5O
Molecular Weight:
213.1955
IUPAC Name:
5-diazo-2-phenylimidazole-4-carboxamide
InChI:
InChI=1S/C10H7N5O/c11-8(16)7-10(15-12)14-9(13-7)6-4-2-1-3-5-6/h1-5H,(H2,11,16)
InChI Key:
LROQPOMCHHUTEO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1N=C(N=C1C(=O)N)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.2g/mol
Monoisotopic Mass:
213.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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