CID 29797721
PubChem CID
29797721
Structure
Molecular Formula
Status
Non-live
Molecular Weight
323.1 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-2-[(2,3-dichlorobenzoyl)amino]-2-phenylacetate
InChI=1S/C15H11Cl2NO3/c16-11-8-4-7-10(12(11)17)14(19)18-13(15(20)21)9-5-2-1-3-6-9/h1-8,13H,(H,18,19)(H,20,21)/p-1/t13-/m1/s1
MCRDCZVBUXBZND-CYBMUJFWSA-M
C1=CC=C(C=C1)[C@H](C(=O)[O-])NC(=O)C2=C(C(=CC=C2)Cl)Cl
C15H10Cl2NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
323.1 g/mol
Property Name
XLogP3-AA
Property Value
4.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
322.0037736 g/mol
Property Name
Monoisotopic Mass
Property Value
322.0037736 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
380
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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