Marbofloxacin EP Impurity A

CAT: 1299-RM-M011801-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M011801-01Size:10 mg

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CAS Number

115551-40-1

Synonyms

6,7-difluoro-8-hydroxy-1- (methylamino) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Molecular Formula

C11H8F2N2O4

Molecular Weight

270.19

Target Alternative Name

Marbofloxacin

Product Name Synonym

6,7-difluoro-8-hydroxy-1- (methylamino) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

Marbofloxacin Impurity A

CAS Number	115551-40-1
PubChem CID	14576603
IUPAC Name	6,7-difluoro-8-hydroxy-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C11H8F2N2O4
Molecular Weight	270.19
XLogP	-0.1
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	442

SMILES

CNN1C=C(C(=O)C2=CC(=C(C(=C21)O)F)F)C(=O)O

InChI

InChI=1S/C11H8F2N2O4/c1-14-15-3-5(11(18)19)9(16)4-2-6(12)7(13)10(17)8(4)15/h2-3,14,17H,1H3,(H,18,19)

InChIKey

GORYSGPURSAYCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115551-40-1

CID: 14576603

Formula: C11H8F2N2O4

MW: 270.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.19
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	270.04521306
Monoisotopic Mass	270.04521306
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	442
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

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