CID 39360590
PubChem CID
39360590
Structure
Molecular Formula
Status
Non-live
Molecular Weight
259.25 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-[3-(4-fluorophenyl)phenoxy]propanoate
InChI=1S/C15H13FO3/c1-10(15(17)18)19-14-4-2-3-12(9-14)11-5-7-13(16)8-6-11/h2-10H,1H3,(H,17,18)/p-1/t10-/m0/s1
DHIIYIFPMJQSMJ-JTQLQIEISA-M
C[C@@H](C(=O)[O-])OC1=CC=CC(=C1)C2=CC=C(C=C2)F
C15H12FO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
259.25 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
259.07704740 g/mol
Property Name
Monoisotopic Mass
Property Value
259.07704740 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
294
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS