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Home > Imidazoles > 91489-76-8
91489-76-8 | 1H-Benzimidazole-4-butanamide, N-hydroxy-2-methyl-5-nitro-
CAS No: 91489-76-8 Catalog No: AG006LNT MDL No:
Product Description
Catalog Number:
AG006LNT
Chemical Name:
1H-Benzimidazole-4-butanamide, N-hydroxy-2-methyl-5-nitro-
CAS Number:
91489-76-8
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
IUPAC Name:
N-hydroxy-4-(2-methyl-5-nitro-1H-benzimidazol-4-yl)butanamide
InChI:
InChI=1S/C12H14N4O4/c1-7-13-9-5-6-10(16(19)20)8(12(9)14-7)3-2-4-11(17)15-18/h5-6,18H,2-4H2,1H3,(H,13,14)(H,15,17)
InChI Key:
POFXRSVAVQXQNK-UHFFFAOYSA-N
SMILES:
ONC(=O)CCCc1c(ccc2c1nc([nH]2)C)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.268g/mol
Monoisotopic Mass:
278.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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