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Home > Imidazoles > 285987-29-3
285987-29-3 | 2,6-bis(1H-imidazol-1-yl)benzonitrile
CAS No: 285987-29-3 Catalog No: AG00IS1Z MDL No:MFCD00172157
Product Description
Catalog Number:
AG00IS1Z
Chemical Name:
2,6-bis(1H-imidazol-1-yl)benzonitrile
CAS Number:
285987-29-3
Molecular Formula:
C13H9N5
Molecular Weight:
235.2441
MDL Number:
MFCD00172157
IUPAC Name:
2,6-di(imidazol-1-yl)benzonitrile
InChI:
InChI=1S/C13H9N5/c14-8-11-12(17-6-4-15-9-17)2-1-3-13(11)18-7-5-16-10-18/h1-7,9-10H
InChI Key:
SKYQQENDYWWNJS-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1n1cncc1)n1cncc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.25g/mol
Monoisotopic Mass:
235.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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