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Home > Fluorides > 1261732-07-3
1261732-07-3 | 3-Pyridinecarbonitrile, 5-(2,3-difluorophenyl)-
CAS No: 1261732-07-3 Catalog No: AG000RZ4 MDL No:
Product Description
Catalog Number:
AG000RZ4
Chemical Name:
3-Pyridinecarbonitrile, 5-(2,3-difluorophenyl)-
CAS Number:
1261732-07-3
Molecular Formula:
C12H6F2N2
Molecular Weight:
216.1862
IUPAC Name:
5-(2,3-difluorophenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H6F2N2/c13-11-3-1-2-10(12(11)14)9-4-8(5-15)6-16-7-9/h1-4,6-7H
InChI Key:
TZTWUMCPLMSDLK-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1cccc(c1F)F
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.191g/mol
Monoisotopic Mass:
216.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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