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869957-98-2 | 1H-Benzimidazole, 6-nitro-1-(2-phenylethyl)-
CAS No: 869957-98-2 Catalog No: AG008DYG MDL No:
Product Description
Catalog Number:
AG008DYG
Chemical Name:
1H-Benzimidazole, 6-nitro-1-(2-phenylethyl)-
CAS Number:
869957-98-2
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
IUPAC Name:
6-nitro-1-(2-phenylethyl)benzimidazole
InChI:
InChI=1S/C15H13N3O2/c19-18(20)13-6-7-14-15(10-13)17(11-16-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChI Key:
QEJMSBZRGNMHMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(CCc1ccccc1)cn2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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