Cloxacillin Sodium Impurity 6

CAT: 1299-RM-C651206-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C651206-01Size:10 mg

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CAS Number

83817-50-9

Synonyms

Ethyl 3- (2-chlorophenyl) -5-methylisoxazole-4-carboxylate

Molecular Formula

C13H12ClNO3

Molecular Weight

265.69

Target Alternative Name

Cloxacillin

Product Name Synonym

Ethyl 3- (2-chlorophenyl) -5-methylisoxazole-4-carboxylate

Chemical Information

Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

CAS Number	83817-50-9
PubChem CID	3019364
IUPAC Name	ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Molecular Formula	C13H12ClNO3
Molecular Weight	265.69
XLogP	3.3
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	300

SMILES

CCOC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3

InChIKey

QFOIBTBRETTXIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83817-50-9

CID: 3019364

Formula: C13H12ClNO3

MW: 265.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.69
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	265.0505709
Monoisotopic Mass	265.0505709
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
RM-C651217-01	Cloxacillin Sodium Impurity 17
RM-C651201-01	Cloxacillin Sodium EP Impurity A
RM-C651211-01	Cloxacillin Sodium Impurity 11
RM-C651212-01	Cloxacillin Sodium Impurity 12
RM-C651220-01	Cloxacillin Sodium Impurity 20
RM-C651216-01	Cloxacillin Sodium Impurity 16
RM-C651210-01	Cloxacillin Sodium Impurity 10
RM-C651218-01	Cloxacillin Sodium Impurity 18
RM-C651215-01	Cloxacillin Sodium Impurity 15
RM-C651214-01	Cloxacillin Sodium Impurity 14

Catalog	Name
444923-01	Cloxacillin Sodium EP Impurity B
AR-C03366-01	Cloxacillin Sodium EP Impurity E
AR-C08161-01	Cloxacillin Impurity 1 Sodium Salt
C038-1G	Cloxacillin Sodium
HY-B0466B-01	Cloxacillin (sodium)