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Nebivolol Impurity 9

CAT: 1299-RM-N022209-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N022209-01Size:10 mg
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CAS Number
129050-23-3
Synonyms
(S) -6-fluoro-2- ((S) -oxiran-2-yl) chroman
Molecular Formula
C11H11FO2
Molecular Weight
194.21
Target Alternative Name
Nebivolol
Product Name Synonym
(S) -6-fluoro-2- ((S) -oxiran-2-yl) chroman

Chemical Information

rel-(2R)-6-Fluoro-3,4-dihydro-2-(2R)-2-oxiranyl-2H-1-benzopyran

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CAS Number129050-23-3
PubChem CID20575861
IUPAC Name(2S)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
Molecular FormulaC11H11FO2
Molecular Weight194.20
XLogP2.1
Topological Polar Surface Area21.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@@H]3CO3
InChI
InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2/t10-,11-/m0/s1
InChIKey
GVZDIJGBXSDSEP-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of rel-(2R)-6-Fluoro-3,4-dihydro-2-(2R)-2-oxiranyl-2H-1-benzopyran
CAS: 129050-23-3
CID: 20575861
Formula: C11H11FO2
MW: 194.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.20
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass194.07430775
Monoisotopic Mass194.07430775
Topological Polar Surface Area21.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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