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568544-06-9 | 2-(1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethan-1-one
CAS No: 568544-06-9 Catalog No: AG019GVU MDL No:MFCD03965294
Product Description
Catalog Number:
AG019GVU
Chemical Name:
2-(1H-1,3-benzodiazol-2-yl)-1-(4-methylphenyl)ethan-1-one
CAS Number:
568544-06-9
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD03965294
IUPAC Name:
2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChI Key:
DHTWLFZXAYBQAC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^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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