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208922-24-1 | 1H-Benzimidazole, 5-nitro-1-phenyl-2-[(1E)-2-phenylethenyl]-
CAS No: 208922-24-1 Catalog No: AG002JYJ MDL No:
Product Description
Catalog Number:
AG002JYJ
Chemical Name:
1H-Benzimidazole, 5-nitro-1-phenyl-2-[(1E)-2-phenylethenyl]-
CAS Number:
208922-24-1
Molecular Formula:
C21H15N3O2
Molecular Weight:
341.3627
IUPAC Name:
5-nitro-1-phenyl-2-(2-phenylethenyl)benzimidazole
InChI:
InChI=1S/C21H15N3O2/c25-24(26)18-12-13-20-19(15-18)22-21(14-11-16-7-3-1-4-8-16)23(20)17-9-5-2-6-10-17/h1-15H
InChI Key:
DJAPMEYHSQWHCT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2c1ccccc1)/C=C/c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.37g/mol
Monoisotopic Mass:
341.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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