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192316-25-9 | 1H-Benzimidazole, 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-nitro-
CAS No: 192316-25-9 Catalog No: AG002FU7 MDL No:
Product Description
Catalog Number:
AG002FU7
Chemical Name:
1H-Benzimidazole, 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-nitro-
CAS Number:
192316-25-9
Molecular Formula:
C28H23N3O4
Molecular Weight:
465.4999
IUPAC Name:
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-nitrobenzimidazole
InChI:
InChI=1S/C28H23N3O4/c32-31(33)24-12-13-25-26(16-24)30(20-29-25)17-23-11-14-27(34-18-21-7-3-1-4-8-21)28(15-23)35-19-22-9-5-2-6-10-22/h1-16,20H,17-19H2
InChI Key:
KBQNKCWQQQONKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(cn2)Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.169g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.509g/mol
Monoisotopic Mass:
465.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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