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89307-43-7 | Benzamide, 3-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS No: 89307-43-7 Catalog No: AG0040G2 MDL No:
Product Description
Catalog Number:
AG0040G2
Chemical Name:
Benzamide, 3-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS Number:
89307-43-7
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
IUPAC Name:
3-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]benzamide
InChI:
InChI=1S/C13H12N4O3/c1-16-11(15-8-12(16)17(19)20)6-5-9-3-2-4-10(7-9)13(14)18/h2-8H,1H3,(H2,14,18)
InChI Key:
ZSXBBLSDMXYYGB-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1)C=Cc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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