CID 39239619
PubChem CID
39239619
Structure
Molecular Formula
Status
Non-live
Molecular Weight
195.21 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2R)-2-(2-fluorophenyl)-3-methylbutanoate
InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-5-3-4-6-9(8)12/h3-7,10H,1-2H3,(H,13,14)/p-1/t10-/m1/s1
HJSXENHAVLBVTQ-SNVBAGLBSA-M
CC(C)[C@H](C1=CC=CC=C1F)C(=O)[O-]
C11H12FO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
195.21 g/mol
Property Name
XLogP3-AA
Property Value
3.5
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
2
Property Name
Exact Mass
Property Value
195.08213278 g/mol
Property Name
Monoisotopic Mass
Property Value
195.08213278 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
198
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
Old substance
CONTENTS