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Home > Pyridines > 820231-68-3
820231-68-3 | 1,3-Benzenedicarbonitrile, 5-(2-pyridinyl)-
CAS No: 820231-68-3 Catalog No: AG004YFH MDL No:
Product Description
Catalog Number:
AG004YFH
Chemical Name:
1,3-Benzenedicarbonitrile, 5-(2-pyridinyl)-
CAS Number:
820231-68-3
Molecular Formula:
C13H7N3
Molecular Weight:
205.2148
IUPAC Name:
5-pyridin-2-ylbenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C13H7N3/c14-8-10-5-11(9-15)7-12(6-10)13-3-1-2-4-16-13/h1-7H
InChI Key:
WHSBPWTZOVNEOV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)cc(c1)c1ccccn1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.22g/mol
Monoisotopic Mass:
205.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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