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Iloperidone Impurity 3

CAT: 1299-RM-I121603-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I121603-02Size:25 mg
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CAS Number
792857-93-3
Synonyms
(2-chlorophenyl) (piperidin-4-yl) methanone
Molecular Formula
C12H14ClNO
Molecular Weight
223.7
Target Alternative Name
Iloperidone
Product Name Synonym
(2-chlorophenyl) (piperidin-4-yl) methanone

Chemical Information

(2-Chlorophenyl)(piperidin-4-yl)methanone
CAS Number792857-93-3
PubChem CID13476550
IUPAC Name(2-chlorophenyl)-piperidin-4-ylmethanone
Molecular FormulaC12H14ClNO
Molecular Weight223.70
XLogP2.1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity226
SMILES
C1CNCCC1C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H14ClNO/c13-11-4-2-1-3-10(11)12(15)9-5-7-14-8-6-9/h1-4,9,14H,5-8H2
InChIKey
BTRYGLDUFBMBSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chlorophenyl)(piperidin-4-yl)methanone
CAS: 792857-93-3
CID: 13476550
Formula: C12H14ClNO
MW: 223.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.70
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass223.0763918
Monoisotopic Mass223.0763918
Topological Polar Surface Area29.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity226
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

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