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Home > Imidazoles > 695206-11-2
695206-11-2 | 1-(3-methylphenyl)-5-nitro-1H-benzimidazole
CAS No: 695206-11-2 Catalog No: AG00JGYF MDL No:MFCD05259376
Product Description
Catalog Number:
AG00JGYF
Chemical Name:
1-(3-methylphenyl)-5-nitro-1H-benzimidazole
CAS Number:
695206-11-2
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD05259376
IUPAC Name:
1-(3-methylphenyl)-5-nitrobenzimidazole
InChI:
InChI=1S/C14H11N3O2/c1-10-3-2-4-11(7-10)16-9-15-13-8-12(17(18)19)5-6-14(13)16/h2-9H,1H3
InChI Key:
GVYQHWMXFHYGPC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1cnc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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