CID 34648938
PubChem CID
34648938
Structure
Molecular Formula
Status
Non-live
Molecular Weight
425.3 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(2-bromo-4-fluorophenoxy)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
InChI=1S/C19H19BrF2N2O2/c20-16-11-15(21)5-6-18(16)26-13-19(25)24-9-7-23(8-10-24)12-14-3-1-2-4-17(14)22/h1-6,11H,7-10,12-13H2
JJZHDUYUJINUGK-UHFFFAOYSA-N
C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC3=C(C=C(C=C3)F)Br
C19H19BrF2N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
425.3 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
5
Property Name
Exact Mass
Property Value
424.05980 g/mol
Property Name
Monoisotopic Mass
Property Value
424.05980 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.8 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
463
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
Old substance
CONTENTS