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Home > Imidazoles > 81890-07-5
81890-07-5 | 4H-Imidazole-5-carboxamide, 4-diazo-N-(phenylmethyl)-
CAS No: 81890-07-5 Catalog No: AG008LAC MDL No:
Product Description
Catalog Number:
AG008LAC
Chemical Name:
4H-Imidazole-5-carboxamide, 4-diazo-N-(phenylmethyl)-
CAS Number:
81890-07-5
Molecular Formula:
C11H9N5O
Molecular Weight:
227.2221
IUPAC Name:
N-benzyl-5-diazoimidazole-4-carboxamide
InChI:
InChI=1S/C11H9N5O/c12-16-10-9(14-7-15-10)11(17)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,17)
InChI Key:
HKHDSSVECBHTKH-UHFFFAOYSA-N
SMILES:
O=C(C1=NC=NC1=[N+]=[N-])NCc1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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