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Home > Fluorides > 833457-44-6
833457-44-6 | 2-Pyridinecarbonitrile, 6-[4-(difluoromethoxy)phenyl]-
CAS No: 833457-44-6 Catalog No: AG0055MV MDL No:
Product Description
Catalog Number:
AG0055MV
Chemical Name:
2-Pyridinecarbonitrile, 6-[4-(difluoromethoxy)phenyl]-
CAS Number:
833457-44-6
Molecular Formula:
C13H8F2N2O
Molecular Weight:
246.2122
IUPAC Name:
6-[4-(difluoromethoxy)phenyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C13H8F2N2O/c14-13(15)18-11-6-4-9(5-7-11)12-3-1-2-10(8-16)17-12/h1-7,13H
InChI Key:
SWFYKUOCGRGTGN-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)c1cccc(n1)C#N)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.217g/mol
Monoisotopic Mass:
246.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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