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Dapagliflozin Impurity 125

CAT: 1299-RM-D160825-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160825-01Size:10 mg
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CAS Number
1298086-29-9
Synonyms
(2-chloro-5-iodophenyl) (4-ethoxyphenyl) methanol
Molecular Formula
C15H14ClIO2
Molecular Weight
388.63
Target Alternative Name
Dapagliflozin
Product Name Synonym
(2-chloro-5-iodophenyl) (4-ethoxyphenyl) methanol

Chemical Information

(2-Chloro-5-iodophenyl)(4-ethoxyphenyl)methanol
CAS Number1298086-29-9
PubChem CID67153903
IUPAC Name(2-chloro-5-iodophenyl)-(4-ethoxyphenyl)methanol
Molecular FormulaC15H14ClIO2
Molecular Weight388.63
XLogP4.3
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)I)Cl)O
InChI
InChI=1S/C15H14ClIO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(17)5-8-14(13)16/h3-9,15,18H,2H2,1H3
InChIKey
LEGZNPPQLJETHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chloro-5-iodophenyl)(4-ethoxyphenyl)methanol
CAS: 1298086-29-9
CID: 67153903
Formula: C15H14ClIO2
MW: 388.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.63
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass387.97270
Monoisotopic Mass387.97270
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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