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Home > Nitro Compounds > 282523-56-2
282523-56-2 | 1-(benzyloxy)-6-nitro-2-phenyl-1H-1,3-benzodiazole
CAS No: 282523-56-2 Catalog No: AG00IOVK MDL No:MFCD00141422
Product Description
Catalog Number:
AG00IOVK
Chemical Name:
1-(benzyloxy)-6-nitro-2-phenyl-1H-1,3-benzodiazole
CAS Number:
282523-56-2
Molecular Formula:
C20H15N3O3
Molecular Weight:
345.3514
MDL Number:
MFCD00141422
IUPAC Name:
6-nitro-2-phenyl-1-phenylmethoxybenzimidazole
InChI:
InChI=1S/C20H15N3O3/c24-23(25)17-11-12-18-19(13-17)22(26-14-15-7-3-1-4-8-15)20(21-18)16-9-5-2-6-10-16/h1-13H,14H2
InChI Key:
STSSOJRCXMXBAC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(OCc1ccccc1)c(n2)c1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.358g/mol
Monoisotopic Mass:
345.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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