CID 39396489
PubChem CID
39396489
Structure
Molecular Formula
Status
Non-live
Molecular Weight
289.73 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[3-(4-chlorophenyl)phenoxy]-2-methylpropanoate
InChI=1S/C16H15ClO3/c1-16(2,15(18)19)20-14-5-3-4-12(10-14)11-6-8-13(17)9-7-11/h3-10H,1-2H3,(H,18,19)/p-1
RKJLCMZBCNAUNI-UHFFFAOYSA-M
CC(C)(C(=O)[O-])OC1=CC=CC(=C1)C2=CC=C(C=C2)Cl
C16H14ClO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
289.73 g/mol
Property Name
XLogP3-AA
Property Value
5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
289.0631470 g/mol
Property Name
Monoisotopic Mass
Property Value
289.0631470 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
329
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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