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Ezetimibe Impurity 188

CAT: 1299-RM-E262188-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262188-01Size:10 mg
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CAS Number
2191318-94-0
Synonyms
(Z) -1- (4- (benzyloxy) phenyl) -N- (3-fluorophenyl) methanimine
Molecular Formula
C20H16FNO
Molecular Weight
305.35
Target Alternative Name
Ezetimibe
Product Name Synonym
(Z) -1- (4- (benzyloxy) phenyl) -N- (3-fluorophenyl) methanimine

Chemical Information

Ezetimibe Impurity 188
CAS Number2191318-94-0
PubChem CID177829286
IUPAC NameN-(3-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
Molecular FormulaC20H16FNO
Molecular Weight305.3
XLogP4.8
Topological Polar Surface Area21.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity359
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC(=CC=C3)F
InChI
InChI=1S/C20H16FNO/c21-18-7-4-8-19(13-18)22-14-16-9-11-20(12-10-16)23-15-17-5-2-1-3-6-17/h1-14H,15H2
InChIKey
NTGJEEGYVJDGCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ezetimibe Impurity 188
CAS: 2191318-94-0
CID: 177829286
Formula: C20H16FNO
MW: 305.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.3
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass305.121592296
Monoisotopic Mass305.121592296
Topological Polar Surface Area21.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity359
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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