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90349-15-8 | 1H-Benzimidazole,1-ethyl-5-nitro-
CAS No: 90349-15-8 Catalog No: AG00IG3U MDL No:MFCD00179555
Product Description
Catalog Number:
AG00IG3U
Chemical Name:
1H-Benzimidazole,1-ethyl-5-nitro-
CAS Number:
90349-15-8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD00179555
IUPAC Name:
1-ethyl-5-nitrobenzimidazole
InChI:
InChI=1S/C9H9N3O2/c1-2-11-6-10-8-5-7(12(13)14)3-4-9(8)11/h3-6H,2H2,1H3
InChI Key:
GINJOHOCISEINH-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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