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683810-05-1 | Imidazo[1,2-a]pyridine-2-carboxamide, 3-nitro-N-(phenylmethyl)-
CAS No: 683810-05-1 Catalog No: AG006KT1 MDL No:
Product Description
Catalog Number:
AG006KT1
Chemical Name:
Imidazo[1,2-a]pyridine-2-carboxamide, 3-nitro-N-(phenylmethyl)-
CAS Number:
683810-05-1
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
N-benzyl-3-nitroimidazo[1,2-a]pyridine-2-carboxamide
InChI:
InChI=1S/C15H12N4O3/c20-14(16-10-11-6-2-1-3-7-11)13-15(19(21)22)18-9-5-4-8-12(18)17-13/h1-9H,10H2,(H,16,20)
InChI Key:
SSMDRGHGMORAET-UHFFFAOYSA-N
SMILES:
O=C(c1nc2n(c1[N+](=O)[O-])cccc2)NCc1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.286g/mol
Monoisotopic Mass:
296.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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