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Home > Imidazoles > 54980-91-5
54980-91-5 | (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
CAS No: 54980-91-5 Catalog No: AG00JH7X MDL No:MFCD01413443
Product Description
Catalog Number:
AG00JH7X
Chemical Name:
(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
CAS Number:
54980-91-5
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD01413443
IUPAC Name:
2-(3-methyl-2-oxobenzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C10H9N3O/c1-12-8-4-2-3-5-9(8)13(7-6-11)10(12)14/h2-5H,7H2,1H3
InChI Key:
PUHRXUBGHPMXEK-UHFFFAOYSA-N
SMILES:
N#CCn1c(=O)n(c2c1cccc2)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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