CID 29031487
PubChem CID
29031487
Structure
Molecular Formula
Status
Non-live
Molecular Weight
345.14 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
6-bromo-2-(3-fluorophenyl)quinoline-4-carboxylate
InChI=1S/C16H9BrFNO2/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(19-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21)/p-1
ZHUCJLLJKOTYKQ-UHFFFAOYSA-M
C1=CC(=CC(=C1)F)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]
C16H8BrFNO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
345.14 g/mol
Property Name
XLogP3-AA
Property Value
4.8
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
343.97224 g/mol
Property Name
Monoisotopic Mass
Property Value
343.97224 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
389
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
CONTENTS