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1266996-42-2 | 3-Pyridinecarbonitrile, 5-(3-chlorophenyl)-
CAS No: 1266996-42-2 Catalog No: AG000T4A MDL No:
Product Description
Catalog Number:
AG000T4A
Chemical Name:
3-Pyridinecarbonitrile, 5-(3-chlorophenyl)-
CAS Number:
1266996-42-2
Molecular Formula:
C12H7ClN2
Molecular Weight:
214.6504
IUPAC Name:
5-(3-chlorophenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H
InChI Key:
UETXUPWQVBULAO-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1cccc(c1)Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.652g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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