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2714-92-3 | Phenol, 3-fluoro-,1-benzoate
CAS No: 2714-92-3 Catalog No: AG007LS4 MDL No:
Product Description
Catalog Number:
AG007LS4
Chemical Name:
Phenol, 3-fluoro-,1-benzoate
CAS Number:
2714-92-3
Molecular Formula:
C13H9FO2
Molecular Weight:
216.2078
IUPAC Name:
(3-fluorophenyl) benzoate
InChI:
InChI=1S/C13H9FO2/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9H
InChI Key:
PAUOKIZUAVMFGH-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)OC(=O)c1ccccc1
NSC Number:
131002
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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