CID 36689933
PubChem CID
36689933
Structure
Molecular Formula
Status
Non-live
Molecular Weight
317.1 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
8-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate
InChI=1S/C16H9Cl2NO2/c17-10-6-4-9(5-7-10)14-8-12(16(20)21)11-2-1-3-13(18)15(11)19-14/h1-8H,(H,20,21)/p-1
UUDOWKIFSYBWBD-UHFFFAOYSA-M
C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)Cl
C16H8Cl2NO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
317.1 g/mol
Property Name
XLogP3-AA
Property Value
5.3
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
1
Property Name
Exact Mass
Property Value
315.9932089 g/mol
Property Name
Monoisotopic Mass
Property Value
315.9932089 g/mol
Property Name
Topological Polar Surface Area
Property Value
53 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
379
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