Norfloxacin Impurity 10

CAT: 1299-RM-N062437-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N062437-01Size:10 mg

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CAS Number

110947-05-2

Synonyms

8-chloro-6-ethyl-9-fluoro-4-oxo-4,6-dihydro-2H-1l3,2l4-[1,3,2]dioxaborinino[5,6-c]quinoline-2,2-diyl diacetate

Molecular Formula

C16H14BClFNO7

Molecular Weight

397.55

Target Alternative Name

Norfloxacin

Product Name Synonym

8-chloro-6-ethyl-9-fluoro-4-oxo-4,6-dihydro-2H-1l3,2l4-[1,3,2]dioxaborinino[5,6-c]quinoline-2,2-diyl diacetate

Chemical Information

Norfloxacin Impurity 10

CAS Number	110947-05-2
PubChem CID	11047595
IUPAC Name	diacetyloxyboranyl 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
Molecular Formula	C16H14BClFNO7
Molecular Weight	397.5
Topological Polar Surface Area	99.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	657

SMILES

B(OC(=O)C)(OC(=O)C)OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)Cl)CC

InChI

InChI=1S/C16H14BClFNO7/c1-4-20-7-11(15(23)10-5-13(19)12(18)6-14(10)20)16(24)27-17(25-8(2)21)26-9(3)22/h5-7H,4H2,1-3H3

InChIKey

QJYHFGLBTPHEPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110947-05-2

CID: 11047595

Formula: C16H14BClFNO7

MW: 397.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	397.0535878
Monoisotopic Mass	397.0535878
Topological Polar Surface Area	99.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	657
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