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Home > Fluorides > 132797-22-9
132797-22-9 | Benzonitrile, 4-(benzoyloxy)-2-fluoro-
CAS No: 132797-22-9 Catalog No: AG001175 MDL No:
Product Description
Catalog Number:
AG001175
Chemical Name:
Benzonitrile, 4-(benzoyloxy)-2-fluoro-
CAS Number:
132797-22-9
Molecular Formula:
C14H8FNO2
Molecular Weight:
241.2172
IUPAC Name:
(4-cyano-3-fluorophenyl) benzoate
InChI:
InChI=1S/C14H8FNO2/c15-13-8-12(7-6-11(13)9-16)18-14(17)10-4-2-1-3-5-10/h1-8H
InChI Key:
LJXCFVJGBORMRW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)OC(=O)c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.221g/mol
Monoisotopic Mass:
241.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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