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88538-50-5 | Ethanone, 1-[4-(2-methyl-5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS No: 88538-50-5 Catalog No: AG0046NP MDL No:
Product Description
Catalog Number:
AG0046NP
Chemical Name:
Ethanone, 1-[4-(2-methyl-5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS Number:
88538-50-5
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
1-[4-(2-methyl-5-nitrobenzimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C16H13N3O3/c1-10(20)12-3-5-13(6-4-12)18-11(2)17-15-9-14(19(21)22)7-8-16(15)18/h3-9H,1-2H3
InChI Key:
UBLJVVIPZNBAND-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)n1c(C)nc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
442
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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