Ofloxacin Impurity 4

CAT: 1299-RM-O062414-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O062414-01Size:10 mg

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CAS Number

157766-27-3

Synonyms

Ethyl 3-oxo-3- (2,3,4-trifluorophenyl) propanoate

Molecular Formula

C11H9F3O3

Molecular Weight

246.19

Target Alternative Name

Ofloxacin

Product Name Synonym

Ethyl 3-oxo-3- (2,3,4-trifluorophenyl) propanoate

Chemical Information

Ethyl 3-oxo-3-(2,3,4-trifluorophenyl)propanoate

CAS Number	157766-27-3
PubChem CID	53936309
IUPAC Name	ethyl 3-oxo-3-(2,3,4-trifluorophenyl)propanoate
Molecular Formula	C11H9F3O3
Molecular Weight	246.18
XLogP	2.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	296

SMILES

CCOC(=O)CC(=O)C1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C11H9F3O3/c1-2-17-9(16)5-8(15)6-3-4-7(12)11(14)10(6)13/h3-4H,2,5H2,1H3

InChIKey

IUQMSOWINMALDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 157766-27-3

CID: 53936309

Formula: C11H9F3O3

MW: 246.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.18
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	246.05037863
Monoisotopic Mass	246.05037863
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	296
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-O062411-01	Ofloxacin Impurity 1
RM-O062413-01	Ofloxacin Impurity 3
RM-O062410-01	Ofloxacin Impurity J
RM-O062412-01	Ofloxacin Impurity 2
RM-O062415-01	Ofloxacin Impurity 5
RM-O062404-01	Ofloxacin EP Impurity D
RM-O062409-01	Ofloxacin Desethylene Impurity 9
RM-O062402-01	Ofloxacin EP Impurity B
RM-O062406-01	Ofloxacin EP Impurity F
RM-O062405-01	Ofloxacin EP Impurity E

Catalog	Name
AR-L01538-01	Ofloxacin EP Impurity A
AR-O01102-01	Ofloxacin Impurity E
AR-O01095-01	Ofloxacin EP Impurity F (Ofloxacin N-Oxide)
AR-O01103-01	Ofloxacin EP Impurity D
AR-O01094-01	Ofloxacin EP Impurity B
AR-O01089-01	Ofloxacin EP Impurity C
AR-O08951-01	Ofloxacin EP Impurity F (Ofloxacin N-Oxide) HCl Salt
AR-O09031-01	N-Nitroso Ofloxacin EP Impurity E
TRC-O245760-250MG	(R)-Ofloxacin Carboxylic Acid (Dextrofloxacin Difluoro Impurity)
sc-478920	(R) -Ofloxacin carboxylic acid (dextrofloxacin difluoro impurity)