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163563-64-2 | 3-Pyridinecarbonitrile, 2-chloro-4-phenyl-
CAS No: 163563-64-2 Catalog No: AG001U7J MDL No:MFCD01935958
Product Description
Catalog Number:
AG001U7J
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-4-phenyl-
CAS Number:
163563-64-2
Molecular Formula:
C12H7ClN2
Molecular Weight:
214.6504
MDL Number:
MFCD01935958
IUPAC Name:
2-chloro-4-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2/c13-12-11(8-14)10(6-7-15-12)9-4-2-1-3-5-9/h1-7H
InChI Key:
GYTQTBOCDGGMRW-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nccc1c1ccccc1
Properties
Complexity:
252
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:
3.2
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