Haloperidol Impurity 39

CAT: 1299-RM-H121639-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H121639-01Size:10 mg

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CAS Number

61191-90-0

Synonyms

6-chloro-1- (4-fluorophenyl) hexan-1-one

Molecular Formula

C12H14ClFO

Molecular Weight

228.69

Target Alternative Name

Haloperidol

Product Name Synonym

6-chloro-1- (4-fluorophenyl) hexan-1-one

Chemical Information

6-Chloro-1-(4-fluorophenyl)-1-oxohexane

CAS Number	61191-90-0
PubChem CID	11817047
IUPAC Name	6-chloro-1-(4-fluorophenyl)hexan-1-one
Molecular Formula	C12H14ClFO
Molecular Weight	228.69
XLogP	3.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	188

SMILES

C1=CC(=CC=C1C(=O)CCCCCCl)F

InChI

InChI=1S/C12H14ClFO/c13-9-3-1-2-4-12(15)10-5-7-11(14)8-6-10/h5-8H,1-4,9H2

InChIKey

NMKHCGOYOKIXRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61191-90-0

CID: 11817047

Formula: C12H14ClFO

MW: 228.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.69
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	228.0717209
Monoisotopic Mass	228.0717209
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-H121600-01	Haloperidol; Haloperidol Decanoate EP Impurity G
RM-H121610-01	Haloperidol Impurity 10
RM-H121611-01	Haloperidol Impurity 11
RM-H121614-01	Haloperidol Impurity 14
RM-H121615-01	Haloperidol Impurity 15
RM-H121637-01	Haloperidol Impurity 37
RM-H121643-01	Haloperidol Impurity 43
RM-H121644-01	Haloperidol Impurity 44
RM-H121661-01	Haloperidol Impurity 61
RM-H121658-01	Haloperidol Impurity 58

Catalog	Name
sc-211217	Dechloro Haloperidol (Haloperidol Impurity B)
AR-H07390-01	Haloperidol Impurity 5
AR-H07341-01	Haloperidol Impurity 8
AR-H07395-01	Haloperidol Impurity 11
AR-H07392-01	Haloperidol Impurity 7
AR-H07401-01	Haloperidol Impurity 18
AR-H07391-01	Haloperidol Impurity 6
FH158068-01	Haloperidol Impurity D
AR-H01034-01	Haloperidol EP Impurity A
AR-H07417-01	Haloperidol Impurity 13