Luliconazole Impurity 19

CAT: 1299-RM-L120319-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L120319-01Size:10 mg

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CAS Number

229334-55-8

Synonyms

(S) -2-chloro-1- (2,4-dichlorophenyl) ethyl methanesulfonate

Molecular Formula

C9H9Cl3O3S

Molecular Weight

303.58

Target Alternative Name

Luliconazole

Product Name Synonym

(S) -2-chloro-1- (2,4-dichlorophenyl) ethyl methanesulfonate

Chemical Information

(S)-2-Chloro-1-(2,4-dichlorophenyl)ethyl methanesulfonate

CAS Number	229334-55-8
PubChem CID	125154556
IUPAC Name	[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] methanesulfonate
Molecular Formula	C9H9Cl3O3S
Molecular Weight	303.6
XLogP	3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	314

SMILES

CS(=O)(=O)O[C@H](CCl)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H9Cl3O3S/c1-16(13,14)15-9(5-10)7-3-2-6(11)4-8(7)12/h2-4,9H,5H2,1H3/t9-/m1/s1

InChIKey

RLMONYZNSJOXOH-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 229334-55-8

CID: 125154556

Formula: C9H9Cl3O3S

MW: 303.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.6
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	301.933798
Monoisotopic Mass	301.933798
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L08141-01	Luliconazole Fragment Impurity
AR-L08142-01	Luliconazole Methanesulfonate Impurity
L064-5G	Luliconazole
GTR19223342-01	Luliconazole, (+) -
MBS5782507	Luliconazole, (+)-