CID 28204322
PubChem CID
28204322
Structure
Molecular Formula
Status
Non-live
Molecular Weight
289.08 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(5-bromo-2-fluorobenzoyl)-methylamino]acetate
InChI=1S/C10H9BrFNO3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,14,15)/p-1
QILVWSASBPULTD-UHFFFAOYSA-M
CN(CC(=O)[O-])C(=O)C1=C(C=CC(=C1)Br)F
C10H8BrFNO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
289.08 g/mol
Property Name
XLogP3-AA
Property Value
2.4
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
2
Property Name
Exact Mass
Property Value
287.96716 g/mol
Property Name
Monoisotopic Mass
Property Value
287.96716 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
282
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