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Aceclofenac EP Impurity G

CAT: 1596-AR-A01113-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01113-01Size:25 Units
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CAS Number
1215709-75-3
Synonyms
2- (2- (2- (2- ((2,6-dichlorophenyl) amino) phenyl) acetoxy) acetoxy) acetic acid; Aceclofenac Imp. G (EP) ; 2-[ (2,6-Dichlorophenyl) amino]benzeneacetic Acid 2- (Carboxymethoxy) -2-oxoethyl Ester
Molecular Formula
C18H15Cl2NO6
Molecular Weight
412.23
API Name
Aceclofenac

Chemical Information

Acetic Aceclofenac
CAS Number1215709-75-3
PubChem CID71312754
IUPAC Name2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetic acid
Molecular FormulaC18H15Cl2NO6
Molecular Weight412.2
XLogP4.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity522
SMILES
C1=CC=C(C(=C1)CC(=O)OCC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C18H15Cl2NO6/c19-12-5-3-6-13(20)18(12)21-14-7-2-1-4-11(14)8-16(24)27-10-17(25)26-9-15(22)23/h1-7,21H,8-10H2,(H,22,23)
InChIKey
IDMXAVBMWGEQMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic Aceclofenac
CAS: 1215709-75-3
CID: 71312754
Formula: C18H15Cl2NO6
MW: 412.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.2
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass411.0276426
Monoisotopic Mass411.0276426
Topological Polar Surface Area102 Ų
Heavy Atom Count27
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes