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7464-88-2 | N-BENZYL-3-METHYL-5-NITRO-IMIDAZOLE-4-CARBOXAMIDE
CAS No: 7464-88-2 Catalog No: AG005AE9 MDL No:
Product Description
Catalog Number:
AG005AE9
Chemical Name:
N-BENZYL-3-METHYL-5-NITRO-IMIDAZOLE-4-CARBOXAMIDE
CAS Number:
7464-88-2
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
IUPAC Name:
N-benzyl-3-methyl-5-nitroimidazole-4-carboxamide
InChI:
InChI=1S/C12H12N4O3/c1-15-8-14-11(16(18)19)10(15)12(17)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,17)
InChI Key:
HRHZZGUHAZAPHG-UHFFFAOYSA-N
SMILES:
O=C(c1n(C)cnc1[N+](=O)[O-])NCc1ccccc1
NSC Number:
400047
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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