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Home > Imidazoles > 632301-29-2
632301-29-2 | 5-nitro-1-(2-phenylethyl)-1H-benzimidazole
CAS No: 632301-29-2 Catalog No: AG00JGXI MDL No:MFCD03765677
Product Description
Catalog Number:
AG00JGXI
Chemical Name:
5-nitro-1-(2-phenylethyl)-1H-benzimidazole
CAS Number:
632301-29-2
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD03765677
IUPAC Name:
5-nitro-1-(2-phenylethyl)benzimidazole
InChI:
InChI=1S/C15H13N3O2/c19-18(20)13-6-7-15-14(10-13)16-11-17(15)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChI Key:
STRPGOKXXQCJHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2CCc1ccccc1
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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