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Ezetimibe Impurity 109

CAT: 1299-RM-E262109-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262109-02Size:25 mg
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CAS Number
588-53-4
Synonyms
4- ((phenylimino) methyl) phenol
Molecular Formula
C13H11NO
Molecular Weight
197.23
Target Alternative Name
Ezetimibe
Product Name Synonym
4- ((phenylimino) methyl) phenol

Chemical Information

4-Benzylideneaminophenol
CAS Number588-53-4
PubChem CID11501
IUPAC Name4-(benzylideneamino)phenol
Molecular FormulaC13H11NO
Molecular Weight197.23
XLogP2.5
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity201
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H
InChIKey
BVTLIIQDQAUXOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzylideneaminophenol
CAS: 588-53-4
CID: 11501
Formula: C13H11NO
MW: 197.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass197.084063974
Monoisotopic Mass197.084063974
Topological Polar Surface Area32.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity201
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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Alternative Products

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TRC-E975050-100MGEzetimibe Diacid Impurity
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AR-E10948-01Ezetimibe Impurity 96
AR-E10931-01Ezetimibe Impurity 58
AR-E10944-01Ezetimibe Impurity 78
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