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Ezetimibe Impurity 159

CAT: 1299-RM-E262159-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262159-02Size:25 mg
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CAS Number
3382-63-6
Synonyms
4- (((4-fluorophenyl) imino) methyl) phenol
Molecular Formula
C13H10FNO
Molecular Weight
215.23
Target Alternative Name
Ezetimibe
Product Name Synonym
4- (((4-fluorophenyl) imino) methyl) phenol

Chemical Information

4-[[(4-Fluorophenyl)imino]methyl]phenol

See also: 4-(4-Hydroxy benzylidene) Fluoroaniline (annotation moved to).

CAS Number3382-63-6
PubChem CID720254
IUPAC Name4-[(4-fluorophenyl)iminomethyl]phenol
Molecular FormulaC13H10FNO
Molecular Weight215.22
XLogP2.6
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity228
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)O
InChI
InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H
InChIKey
VNNJGDYPPLXJFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[(4-Fluorophenyl)imino]methyl]phenol
CAS: 3382-63-6
CID: 720254
Formula: C13H10FNO
MW: 215.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.22
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass215.074642105
Monoisotopic Mass215.074642105
Topological Polar Surface Area32.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity228
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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