Ezetimibe Impurity 96

CAT: 1596-AR-E10948-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10948-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1443306-85-1

Molecular Formula

C13H15FO3

Molecular Weight

238.26

API Name

Ezetimibe

Chemical Information

Methyl 5-(4-fluorophenyl)-3-methyl-5-oxovalerate

CAS Number	1443306-85-1
PubChem CID	91657155
IUPAC Name	methyl 5-(4-fluorophenyl)-3-methyl-5-oxopentanoate
Molecular Formula	C13H15FO3
Molecular Weight	238.25
XLogP	2.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

CC(CC(=O)C1=CC=C(C=C1)F)CC(=O)OC

InChI

InChI=1S/C13H15FO3/c1-9(8-13(16)17-2)7-12(15)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3

InChIKey

JULGJUBDLVCIHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443306-85-1

CID: 91657155

Formula: C13H15FO3

MW: 238.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.25
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	238.10052250
Monoisotopic Mass	238.10052250
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E08964-01	Ezetimibe Impurity 109
AR-E08761-01	Ezetimibe Dehydroxy Impurity
AR-E10989-01	Ezetimibe Impurity 29
AR-E10931-01	Ezetimibe Impurity 58
AR-E10944-01	Ezetimibe Impurity 78
AR-E11012-01	Ezetimibe Impurity 26
AR-E11014-01	Ezetimibe Impurity 10
AR-E10985-01	Ezetimibe Impurity 50
AR-E10978-01	Ezetimibe Impurity 30
AR-E10970-01	Ezetimibe Impurity 2