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Home > Fluorides > 1245646-03-0
1245646-03-0 | Benzonitrile, 4-(6-fluoro-2-pyridinyl)-
CAS No: 1245646-03-0 Catalog No: AG000MAA MDL No:
Product Description
Catalog Number:
AG000MAA
Chemical Name:
Benzonitrile, 4-(6-fluoro-2-pyridinyl)-
CAS Number:
1245646-03-0
Molecular Formula:
C12H7FN2
Molecular Weight:
198.1958
IUPAC Name:
4-(6-fluoropyridin-2-yl)benzonitrile
InChI:
InChI=1S/C12H7FN2/c13-12-3-1-2-11(15-12)10-6-4-9(8-14)5-7-10/h1-7H
InChI Key:
WWSFSGAVGHHTHY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(n1)F
Properties
Complexity:
250
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:
2.7
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