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Ezetimibe Impurity 153

CAT: 1299-RM-E262153-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262153-02Size:25 mg
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CAS Number
1082068-49-2
Synonyms
(E) -4- (((4-chlorophenyl) imino) methyl) phenol
Molecular Formula
C13H10ClNO
Molecular Weight
231.68
Target Alternative Name
Ezetimibe
Product Name Synonym
(E) -4- (((4-chlorophenyl) imino) methyl) phenol

Chemical Information

Alpha-(4-chlorophenylimino)-P-cresol
CAS Number1082068-49-2
PubChem CID868344
IUPAC Name4-[(4-chlorophenyl)iminomethyl]phenol
Molecular FormulaC13H10ClNO
Molecular Weight231.68
XLogP3.1
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity228
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H10ClNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H
InChIKey
QNBYXBOWHMRRAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha-(4-chlorophenylimino)-P-cresol
CAS: 1082068-49-2
CID: 868344
Formula: C13H10ClNO
MW: 231.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.68
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass231.0450916
Monoisotopic Mass231.0450916
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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