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Ezetimibe Impurity 129

CAT: 1299-RM-E262129-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E262129-01Size:10 mg
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CAS Number
83306-62-1
Synonyms
(E) -N- (4-fluorophenyl) -1-phenylmethanimine
Molecular Formula
C13H10FN
Molecular Weight
199.23
Target Alternative Name
Ezetimibe
Product Name Synonym
(E) -N- (4-fluorophenyl) -1-phenylmethanimine

Chemical Information

Benzenamine, 4-fluoro-N-(phenylmethylene)-
CAS Number83306-62-1
PubChem CID607801
IUPAC NameN-(4-fluorophenyl)-1-phenylmethanimine
Molecular FormulaC13H10FN
Molecular Weight199.22
XLogP2.9
Topological Polar Surface Area12.4
Hydrogen Bond Donor Count0
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)F
InChI
InChI=1S/C13H10FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H
InChIKey
OEJZOCTWYUFFNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 4-fluoro-N-(phenylmethylene)-
CAS: 83306-62-1
CID: 607801
Formula: C13H10FN
MW: 199.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.22
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass199.079727485
Monoisotopic Mass199.079727485
Topological Polar Surface Area12.4 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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