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55455-18-0 | N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]benzamide
CAS No: 55455-18-0 Catalog No: AG00E5HY MDL No:
Product Description
Catalog Number:
AG00E5HY
Chemical Name:
N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]benzamide
CAS Number:
55455-18-0
IUPAC Name:
N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]benzamide
InChI:
InChI=1S/C13H14N4O3/c1-10-15-9-12(17(19)20)16(10)8-7-14-13(18)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,18)
InChI Key:
WYBRZOBLOVHIOF-UHFFFAOYSA-N
EC Number:
259-647-4
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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