Sitafloxacin Impurity 58

CAT: 1299-RM-S111687-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S111687-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

99696-21-6

Synonyms

Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Molecular Formula

C15H12ClF2NO3

Molecular Weight

327.71

Target Alternative Name

Sitafloxacin

Product Name Synonym

Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Chemical Information

Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

CAS Number	99696-21-6
PubChem CID	13579166
IUPAC Name	ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
Molecular Formula	C15H12ClF2NO3
Molecular Weight	327.71
XLogP	3.5
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	523

SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)Cl)C3CC3

InChI

InChI=1S/C15H12ClF2NO3/c1-2-22-15(21)9-6-19(7-3-4-7)13-8(14(9)20)5-10(17)12(18)11(13)16/h5-7H,2-4H2,1H3

InChIKey

NUBFPWXUKJGZNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99696-21-6

CID: 13579166

Formula: C15H12ClF2NO3

MW: 327.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.71
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	327.0473773
Monoisotopic Mass	327.0473773
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	523
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