CID 51605080
PubChem CID
51605080
Structure
Molecular Formula
Status
Non-live
Molecular Weight
235.19 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-[1-(4-fluorophenyl)-5-oxo-4H-pyrazol-3-yl]acetate
InChI=1S/C11H9FN2O3/c12-7-1-3-9(4-2-7)14-10(15)5-8(13-14)6-11(16)17/h1-4H,5-6H2,(H,16,17)/p-1
SDVBQEIRIOWTQY-UHFFFAOYSA-M
C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)[O-]
C11H8FN2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
235.19 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
235.05189528 g/mol
Property Name
Monoisotopic Mass
Property Value
235.05189528 g/mol
Property Name
Topological Polar Surface Area
Property Value
72.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
356
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
Old substance
CONTENTS