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Home > Fluorides > 1214373-90-6
1214373-90-6 | 3-Pyridinecarbonitrile, 5-(3-fluorophenyl)-
CAS No: 1214373-90-6 Catalog No: AG0014XF MDL No:
Product Description
Catalog Number:
AG0014XF
Chemical Name:
3-Pyridinecarbonitrile, 5-(3-fluorophenyl)-
CAS Number:
1214373-90-6
Molecular Formula:
C12H7FN2
Molecular Weight:
198.1958
IUPAC Name:
5-(3-fluorophenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H7FN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H
InChI Key:
KDADCYNNPZUICH-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1cccc(c1)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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