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Dapagliflozin Impurity 202

CAT: 1299-RM-D160902-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160902-01Size:10 mg
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CAS Number
1178771-35-1
Synonyms
(5-bromo-2-chlorophenyl) (4-isopropylpiperazin-1-yl) methanone
Molecular Formula
C14H18BrClN2O
Molecular Weight
345.67
Target Alternative Name
Dapagliflozin
Product Name Synonym
(5-bromo-2-chlorophenyl) (4-isopropylpiperazin-1-yl) methanone

Chemical Information

(5-Bromo-2-chlorophenyl)(4-isopropylpiperazin-1-yl)methanone
CAS Number1178771-35-1
PubChem CID60738671
IUPAC Name(5-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
Molecular FormulaC14H18BrClN2O
Molecular Weight345.66
XLogP3.3
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity319
SMILES
CC(C)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)Cl
InChI
InChI=1S/C14H18BrClN2O/c1-10(2)17-5-7-18(8-6-17)14(19)12-9-11(15)3-4-13(12)16/h3-4,9-10H,5-8H2,1-2H3
InChIKey
VVQLICYRDZCFNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Bromo-2-chlorophenyl)(4-isopropylpiperazin-1-yl)methanone
CAS: 1178771-35-1
CID: 60738671
Formula: C14H18BrClN2O
MW: 345.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.66
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass344.02910
Monoisotopic Mass344.02910
Topological Polar Surface Area23.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity319
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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