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Dapagliflozin Impurity 86

CAT: 1299-RM-D160786-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160786-01Size:10 mg
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CAS Number
2069934-29-6
Synonyms
1,4-dichloro-2- (4-ethoxybenzyl) benzene
Molecular Formula
C15H14Cl2O
Molecular Weight
281.18
Target Alternative Name
Dapagliflozin
Product Name Synonym
1,4-dichloro-2- (4-ethoxybenzyl) benzene

Chemical Information

1,4-Dichloro-2-[(4-ethoxyphenyl)methyl]benzene
CAS Number2069934-29-6
PubChem CID143602306
IUPAC Name1,4-dichloro-2-[(4-ethoxyphenyl)methyl]benzene
Molecular FormulaC15H14Cl2O
Molecular Weight281.2
XLogP5.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity239
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2O/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
InChIKey
NJURDXZWUGNUHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dichloro-2-[(4-ethoxyphenyl)methyl]benzene
CAS: 2069934-29-6
CID: 143602306
Formula: C15H14Cl2O
MW: 281.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.2
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass280.0421705
Monoisotopic Mass280.0421705
Topological Polar Surface Area9.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity239
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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