Ezetimibe Impurity 78

CAT: 1596-AR-E10944-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10944-01Size:10 Units

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

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CAS Number

70627-52-0

Molecular Formula

C20H16FNO

Molecular Weight

305.35

API Name

Ezetimibe

Chemical Information

4-Fluoro-N-((4-(phenylmethoxy)phenyl)methylene)benzenamine

CAS Number	70627-52-0
PubChem CID	791783
IUPAC Name	N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
Molecular Formula	C20H16FNO
Molecular Weight	305.3
XLogP	4.8
Topological Polar Surface Area	21.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	351

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2

InChIKey

IWNBEFDVKWCBFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70627-52-0

CID: 791783

Formula: C20H16FNO

MW: 305.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.3
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	305.121592296
Monoisotopic Mass	305.121592296
Topological Polar Surface Area	21.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	351
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
AR-E08964-01	Ezetimibe Impurity 109
AR-E08761-01	Ezetimibe Dehydroxy Impurity
AR-E10989-01	Ezetimibe Impurity 29
AR-E10948-01	Ezetimibe Impurity 96
AR-E10931-01	Ezetimibe Impurity 58
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