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Home > Imidazoles > 89307-42-6
89307-42-6 | Benzamide, N-ethoxy-4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS No: 89307-42-6 Catalog No: AG003YMQ MDL No:
Product Description
Catalog Number:
AG003YMQ
Chemical Name:
Benzamide, N-ethoxy-4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS Number:
89307-42-6
Molecular Formula:
C15H16N4O4
Molecular Weight:
316.3119
IUPAC Name:
N-ethoxy-4-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]benzamide
InChI:
InChI=1S/C15H16N4O4/c1-3-23-17-15(20)12-7-4-11(5-8-12)6-9-13-16-10-14(18(13)2)19(21)22/h4-10H,3H2,1-2H3,(H,17,20)
InChI Key:
SGFNHYYVAIZTIE-UHFFFAOYSA-N
SMILES:
CCONC(=O)c1ccc(cc1)C=Cc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.317g/mol
Monoisotopic Mass:
316.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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