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Pitolisant Impurity 12

CAT: 1299-RM-P352012-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P352012-01Size:10 mg
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CAS Number
61440-60-6
Synonyms
3- (4-chlorophenyl) propyl methanesulfonate
Molecular Formula
C10H13ClO3S
Molecular Weight
248.72
Target Alternative Name
Pitolisant
Product Name Synonym
3- (4-chlorophenyl) propyl methanesulfonate

Chemical Information

3-(4-Chlorophenyl)propyl methanesulfonate
CAS Number61440-60-6
PubChem CID13079705
IUPAC Name3-(4-chlorophenyl)propyl methanesulfonate
Molecular FormulaC10H13ClO3S
Molecular Weight248.73
XLogP2.6
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity263
SMILES
CS(=O)(=O)OCCCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13ClO3S/c1-15(12,13)14-8-2-3-9-4-6-10(11)7-5-9/h4-7H,2-3,8H2,1H3
InChIKey
NPANKSZVBOAPFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)propyl methanesulfonate
CAS: 61440-60-6
CID: 13079705
Formula: C10H13ClO3S
MW: 248.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.73
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass248.0273931
Monoisotopic Mass248.0273931
Topological Polar Surface Area51.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity263
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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Alternative Products

CatalogName
AR-P31963-01Pitolisant Impurity 3
AR-P31964-01Pitolisant Impurity 4
AR-P31968-01Pitolisant Impurity 7
AR-P31967-01Pitolisant impurity 6
AR-P31971-01Pitolisant Impurity 1
AR-P33701-01Pitolisant Despiperidine Impurity
AR-P33705-01Pitolisant Impurity 10
AR-P31962-01Pitolisant Impurity 2
AR-P33700-01Pitolisant Deschloro Impurity
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