CID 28604570
PubChem CID
28604570
Structure
Molecular Formula
Status
Non-live
Molecular Weight
205.16 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-fluoro-4-pyrazol-1-ylbenzoate
InChI=1S/C10H7FN2O2/c11-8-6-7(10(14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H,14,15)/p-1
GMPXSUOBBQQHAC-UHFFFAOYSA-M
C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)[O-])F
C10H6FN2O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
205.16 g/mol
Property Name
XLogP3-AA
Property Value
2.2
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
1
Property Name
Exact Mass
Property Value
205.04133060 g/mol
Property Name
Monoisotopic Mass
Property Value
205.04133060 g/mol
Property Name
Topological Polar Surface Area
Property Value
58 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
244
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
Old substance
CONTENTS