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Ziprasidone Impurity

CAT: 1596-AR-Z01089-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01089-01Size:10 Units
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CAS Number
884305-06-0
Synonyms
6-chloro-5- (2-chloro-1-hydroxyethyl) indolin-2-one
Molecular Formula
C10H9Cl2NO2
Molecular Weight
246.09
API Name
Ziprasidone

Chemical Information

6-chloro-5-(2-chloro-1-hydroxyethyl)-1,3-dihydro-2H-Indol-2-one
CAS Number884305-06-0
PubChem CID16128890
IUPAC Name6-chloro-5-(2-chloro-1-hydroxyethyl)-1,3-dihydroindol-2-one
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09
XLogP1.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity262
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)C(CCl)O
InChI
InChI=1S/C10H9Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3,9,14H,2,4H2,(H,13,15)
InChIKey
FUMREGYTKNNZGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-chloro-5-(2-chloro-1-hydroxyethyl)-1,3-dihydro-2H-Indol-2-one
CAS: 884305-06-0
CID: 16128890
Formula: C10H9Cl2NO2
MW: 246.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.09
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass245.0010339
Monoisotopic Mass245.0010339
Topological Polar Surface Area49.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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