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Dehydrate Haloperidol

CAT: 1596-AR-H01040-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01040-02Size:25 Units
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CAS Number
52669-92-8
Synonyms
4- (4- (4-chlorophenyl) -5,6-dihydropyridin-1 (2H) -yl) -1- (4-fluorophenyl) butan-1-one; 4-[4- (p-Chlorophenyl) -2,5,6-trihydropyridino]-4'-fluorobutyrophenone; HPTP; Dehydrate Haloperidol
Molecular Formula
C21H21ClFNO
Molecular Weight
357.86
API Name
Haloperidol

Chemical Information

Hptp

4-(4-(P-Chlorophenyl)-2,5,6-Trihydropyridino)-4'-Fluorobutyrophenone is an aromatic ketone.

CAS Number52669-92-8
PubChem CID171187
IUPAC Name4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular FormulaC21H21ClFNO
Molecular Weight357.8
XLogP4.5
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity465
SMILES
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2
InChIKey
ZNOLNAPJKOYTHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hptp
CAS: 52669-92-8
CID: 171187
Formula: C21H21ClFNO
MW: 357.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.8
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass357.1295701
Monoisotopic Mass357.1295701
Topological Polar Surface Area20.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity465
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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