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Home > Fluorides > 1227599-81-6
1227599-81-6 | 3-Pyridineacetonitrile, 6-(4-fluorophenyl)-
CAS No: 1227599-81-6 Catalog No: AG000JDX MDL No:MFCD16608882
Product Description
Catalog Number:
AG000JDX
Chemical Name:
3-Pyridineacetonitrile, 6-(4-fluorophenyl)-
CAS Number:
1227599-81-6
Molecular Formula:
C13H9FN2
Molecular Weight:
212.2224
MDL Number:
MFCD16608882
IUPAC Name:
2-[6-(4-fluorophenyl)pyridin-3-yl]acetonitrile
InChI:
InChI=1S/C13H9FN2/c14-12-4-2-11(3-5-12)13-6-1-10(7-8-15)9-16-13/h1-6,9H,7H2
InChI Key:
YCHSVLJFTWXXCC-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(nc1)c1ccc(cc1)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.227g/mol
Monoisotopic Mass:
212.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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