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Haloperidol Impurity 3

CAT: 1596-AR-H01042-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01042-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185626-66-8
Synonyms
(4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) phenyl) (cyclopropyl) methanone; De (1- (4-fluorophenyl) butan-1-one) N- (cyclopropyl (phenyl) methanone) Haloperidol
Molecular Formula
C21H22ClNO2
Molecular Weight
355.86
API Name
Haloperidol

Chemical Information

(4-(4-Chlorophenyl-4-hydroxypiperidino)phenyl)-cyclopropyl-ketone
CAS Number185626-66-8
PubChem CID121230854
IUPAC Name[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone
Molecular FormulaC21H22ClNO2
Molecular Weight355.9
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
C1CC1C(=O)C2=CC=C(C=C2)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H22ClNO2/c22-18-7-5-17(6-8-18)21(25)11-13-23(14-12-21)19-9-3-16(4-10-19)20(24)15-1-2-15/h3-10,15,25H,1-2,11-14H2
InChIKey
OUDKJAWJKFIFIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(4-Chlorophenyl-4-hydroxypiperidino)phenyl)-cyclopropyl-ketone
CAS: 185626-66-8
CID: 121230854
Formula: C21H22ClNO2
MW: 355.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.9
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass355.1339066
Monoisotopic Mass355.1339066
Topological Polar Surface Area40.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
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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