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Home > Imidazoles > 116997-22-9
116997-22-9 | Methanone, 1H-imidazol-2-yl(4-methylphenyl)-
CAS No: 116997-22-9 Catalog No: AG000DHK MDL No:MFCD00956848
Product Description
Catalog Number:
AG000DHK
Chemical Name:
Methanone, 1H-imidazol-2-yl(4-methylphenyl)-
CAS Number:
116997-22-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD00956848
IUPAC Name:
1H-imidazol-2-yl-(4-methylphenyl)methanone
InChI:
InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10(14)11-12-6-7-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
MWFUQWJSIBEMPW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ncc[nH]1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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