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330592-97-7 | 6-Nitro-2-(2-phenylethyl)-1H-benzimidazole
CAS No: 330592-97-7 Catalog No: AG00I6DB MDL No:MFCD00468700
Product Description
Catalog Number:
AG00I6DB
Chemical Name:
6-Nitro-2-(2-phenylethyl)-1H-benzimidazole
CAS Number:
330592-97-7
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD00468700
IUPAC Name:
6-nitro-2-(2-phenylethyl)-1H-benzimidazole
InChI:
InChI=1S/C15H13N3O2/c19-18(20)12-7-8-13-14(10-12)17-15(16-13)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,16,17)
InChI Key:
BBEFGPVDVHOKRK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)CCc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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