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Dapagliflozin Impurity 70

CAT: 1299-RM-D160770-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160770-01Size:10 mg
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CAS Number
1280647-32-6
Synonyms
(5-bromo-2-chlorophenyl) (4-ethoxyphenyl) methanol
Molecular Formula
C15H14BrClO2
Molecular Weight
341.63
Target Alternative Name
Dapagliflozin
Product Name Synonym
(5-bromo-2-chlorophenyl) (4-ethoxyphenyl) methanol

Chemical Information

(5-Bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanol
CAS Number1280647-32-6
PubChem CID61100046
IUPAC Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
Molecular FormulaC15H14BrClO2
Molecular Weight341.62
XLogP4.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity269
SMILES
CCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)Cl)O
InChI
InChI=1S/C15H14BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15,18H,2H2,1H3
InChIKey
KOJZDDZVYDZNEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanol
CAS: 1280647-32-6
CID: 61100046
Formula: C15H14BrClO2
MW: 341.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.62
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass339.98657
Monoisotopic Mass339.98657
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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