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68930-17-6 | 1H-Benzimidazole-2-carbonitrile,1-(phenylmethoxy)-
CAS No: 68930-17-6 Catalog No: AG006FBW MDL No:MFCD28047468
Product Description
Catalog Number:
AG006FBW
Chemical Name:
1H-Benzimidazole-2-carbonitrile,1-(phenylmethoxy)-
CAS Number:
68930-17-6
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
MDL Number:
MFCD28047468
IUPAC Name:
1-phenylmethoxybenzimidazole-2-carbonitrile
InChI:
InChI=1S/C15H11N3O/c16-10-15-17-13-8-4-5-9-14(13)18(15)19-11-12-6-2-1-3-7-12/h1-9H,11H2
InChI Key:
XFMBKJIWRHGCAJ-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(n1OCc1ccccc1)cccc2
NSC Number:
319113
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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