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Dapagliflozin Impurity 226

CAT: 1299-RM-D160926-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160926-01Size:10 mg
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CAS Number
2007920-33-2
Synonyms
1- (4-ethoxybenzyl) -3-iodobenzene
Molecular Formula
C15H15IO
Molecular Weight
338.19
Target Alternative Name
Dapagliflozin
Product Name Synonym
1- (4-ethoxybenzyl) -3-iodobenzene

Chemical Information

1-(4-Ethoxybenzyl)-3-iodobenzene
CAS Number2007920-33-2
PubChem CID126455476
IUPAC Name1-ethoxy-4-[(3-iodophenyl)methyl]benzene
Molecular FormulaC15H15IO
Molecular Weight338.18
XLogP4.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity211
SMILES
CCOC1=CC=C(C=C1)CC2=CC(=CC=C2)I
InChI
InChI=1S/C15H15IO/c1-2-17-15-8-6-12(7-9-15)10-13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3
InChIKey
YKTLYZKABLFTBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Ethoxybenzyl)-3-iodobenzene
CAS: 2007920-33-2
CID: 126455476
Formula: C15H15IO
MW: 338.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.18
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass338.01676
Monoisotopic Mass338.01676
Topological Polar Surface Area9.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity211
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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