Delafloxacin Impurity 21

CAT: 1299-RM-D051221-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D051221-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

2097714-10-6

Synonyms

1- (6-amino-3,5-difluoropyridin-2-yl) -8-chloro-6-fluoro-3-hydroxy-7- (3-hydroxyazetidin-1-yl) quinolin-4 (1H) -one

Molecular Formula

C17H12ClF3N4O3

Molecular Weight

412.75

Target Alternative Name

Delafloxacin

Product Name Synonym

1- (6-amino-3,5-difluoropyridin-2-yl) -8-chloro-6-fluoro-3-hydroxy-7- (3-hydroxyazetidin-1-yl) quinolin-4 (1H) -one

Chemical Information

3-Descarboxy 3-Hydroxy-delafloxacin

CAS Number	2097714-10-6
PubChem CID	151377728
IUPAC Name	1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-3-hydroxy-7-(3-hydroxyazetidin-1-yl)quinolin-4-one
Molecular Formula	C17H12ClF3N4O3
Molecular Weight	412.7
XLogP	2.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	668

SMILES

C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)O)C4=C(C=C(C(=N4)N)F)F)F)O

InChI

InChI=1S/C17H12ClF3N4O3/c18-12-13-7(1-8(19)14(12)24-3-6(26)4-24)15(28)11(27)5-25(13)17-10(21)2-9(20)16(22)23-17/h1-2,5-6,26-27H,3-4H2,(H2,22,23)

InChIKey

ORTJQLKXJPUPCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2097714-10-6

CID: 151377728

Formula: C17H12ClF3N4O3

MW: 412.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.7
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	412.0550024
Monoisotopic Mass	412.0550024
Topological Polar Surface Area	103 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	668
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