Pazufloxacin Impurity 14

CAT: 1596-AR-P30495-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30495-01Size:10 Units

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CAS Number

165071-09-0

Synonyms

(S) -10-cyano-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Molecular Formula

C14H9FN2O4

Molecular Weight

288.23

API Name

Pazufloxacin

Chemical Information

(S)-10-Cyano-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-IJ]quinoline-6-carboxylic acid

CAS Number	165071-09-0
PubChem CID	87056460
IUPAC Name	(2S)-6-cyano-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Formula	C14H9FN2O4
Molecular Weight	288.23
XLogP	1.7
Topological Polar Surface Area	90.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	581

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C#N)F)C(=O)O

InChI

InChI=1S/C14H9FN2O4/c1-6-5-21-13-8(3-16)10(15)2-7-11(13)17(6)4-9(12(7)18)14(19)20/h2,4,6H,5H2,1H3,(H,19,20)/t6-/m0/s1

InChIKey

VZQJOFFKKPDEJX-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 165071-09-0

CID: 87056460

Formula: C14H9FN2O4

MW: 288.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.23
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	288.05463493
Monoisotopic Mass	288.05463493
Topological Polar Surface Area	90.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes