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Home > Pyridines > 147699-68-1
147699-68-1 | 1,2-Benzenedicarbonitrile, 4,5-bis(3-pyridinyloxy)-
CAS No: 147699-68-1 Catalog No: AG001F3L MDL No:
Product Description
Catalog Number:
AG001F3L
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-bis(3-pyridinyloxy)-
CAS Number:
147699-68-1
Molecular Formula:
C18H10N4O2
Molecular Weight:
314.2976
IUPAC Name:
4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C18H10N4O2/c19-9-13-7-17(23-15-3-1-5-21-11-15)18(8-14(13)10-20)24-16-4-2-6-22-12-16/h1-8,11-12H
InChI Key:
OGVJGKXQSAQKMW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Oc2cccnc2)c(cc1C#N)Oc1cccnc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.304g/mol
Monoisotopic Mass:
314.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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