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Home > Imidazoles > 88538-52-7
88538-52-7 | Ethanone, 1-[3-(2-methyl-5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS No: 88538-52-7 Catalog No: AG00894O MDL No:
Product Description
Catalog Number:
AG00894O
Chemical Name:
Ethanone, 1-[3-(2-methyl-5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS Number:
88538-52-7
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
1-[3-(2-methyl-5-nitrobenzimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C16H13N3O3/c1-10(20)12-4-3-5-13(8-12)18-11(2)17-15-9-14(19(21)22)6-7-16(15)18/h3-9H,1-2H3
InChI Key:
SOIKQWGQXGLIMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2c1cccc(c1)C(=O)C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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