Flucloxacillin Sodium EP Impurity D

CAT: 1299-RM-F121204-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F121204-01Size:10 mg

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CAS Number

3919-74-2

Synonyms

3- (2-chloro-6-fluorophenyl) -5-methylisoxazole-4-carboxylic acid

Molecular Formula

C11H7ClFNO3

Molecular Weight

255.63

Target Alternative Name

Flucloxacillin

Product Name Synonym

3- (2-chloro-6-fluorophenyl) -5-methylisoxazole-4-carboxylic acid

Chemical Information

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

CAS Number	3919-74-2
PubChem CID	77520
IUPAC Name	3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Molecular Formula	C11H7ClFNO3
Molecular Weight	255.63
XLogP	2.7
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	304

SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)

InChIKey

REIPZLFZMOQHJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3919-74-2

CID: 77520

Formula: C11H7ClFNO3

MW: 255.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.63
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	255.0098489
Monoisotopic Mass	255.0098489
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	304
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-F121201-01	Flucloxacillin Sodium EP Impurity A
RM-F121205-01	Flucloxacillin Sodium EP Impurity E
RM-F121210-01	Flucloxacillin Sodium EP Impurity H
RM-F121209-01	Flucloxacillin Sodium EP Impurity G
RM-F121212-01	Flucloxacillin Sodium EP Impurity J
RM-F121208-01	Flucloxacillin Sodium EP Impurity F
RM-F121202-01	Flucloxacillin Sodium EP Impurity B
RM-F121211-01	Flucloxacillin Sodium EP Impurity I
RM-F121218-01	Flucloxacillin Sodium Impurity 18
RM-F121213-01	Flucloxacillin Sodium Impurity 13

Catalog	Name
JH917306	Flucloxacillin sodium impurity A
AR-C03353-01	Flucloxacillin Sodium Impurity B
IF182377-01	Flucloxacillin sodium monohydrate impurity E
HY-A0246A-01	Flucloxacillin sodium