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Home > Imidazoles > 81890-06-4
81890-06-4 | 4H-Imidazole-5-carboxamide, 4-diazo-N-phenyl-
CAS No: 81890-06-4 Catalog No: AG00508R MDL No:
Product Description
Catalog Number:
AG00508R
Chemical Name:
4H-Imidazole-5-carboxamide, 4-diazo-N-phenyl-
CAS Number:
81890-06-4
Molecular Formula:
C10H7N5O
Molecular Weight:
213.1955
IUPAC Name:
5-diazo-N-phenylimidazole-4-carboxamide
InChI:
InChI=1S/C10H7N5O/c11-15-9-8(12-6-13-9)10(16)14-7-4-2-1-3-5-7/h1-6H,(H,14,16)
InChI Key:
KZJBRKOZIWUVAJ-UHFFFAOYSA-N
SMILES:
O=C(C1=NC=NC1=[N+]=[N-])Nc1ccccc1
Properties
Complexity:
399
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:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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