CID 40424490
PubChem CID
40424490
Structure
Molecular Formula
Status
Non-live
Molecular Weight
296.7 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylate
InChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1
YNSCJHCAYOGRHL-UHFFFAOYSA-M
CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)[O-]
C17H11ClNO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.7 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
1
Property Name
Exact Mass
Property Value
296.0478313 g/mol
Property Name
Monoisotopic Mass
Property Value
296.0478313 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
383
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
Old substance
CONTENTS