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140692-98-4 | 3-Pyridinecarbonitrile, 6-chloro-2-(3-fluorophenyl)-
CAS No: 140692-98-4 Catalog No: AG001COX MDL No:
Product Description
Catalog Number:
AG001COX
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-2-(3-fluorophenyl)-
CAS Number:
140692-98-4
Molecular Formula:
C12H6ClFN2
Molecular Weight:
232.6408
IUPAC Name:
6-chloro-2-(3-fluorophenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H6ClFN2/c13-11-5-4-9(7-15)12(16-11)8-2-1-3-10(14)6-8/h1-6H
InChI Key:
LCNJTWANNRXMTL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1c1cccc(c1)F)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.642g/mol
Monoisotopic Mass:
232.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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