Binfloxacin

CAT: 0127-BUP23771-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23771-02Size:2 mg

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

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CAS Number

108437-28-1

Synonyms

CP73049, UNII-78VM28ZA2H, CP-73049

MDL Number

MFCD00864840

Purity

≥98%

Smiles

O=C (O) C1=CN (C2=CC (=C (F) C=C2C1=O) N3CCN4CCC3CC4) CC

Chemical Information

Binfloxacin

CAS Number	108437-28-1
PubChem CID	166565
IUPAC Name	7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H22FN3O3
Molecular Weight	359.4
XLogP	0
Topological Polar Surface Area	64.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	617

SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN4CCC3CC4)F)C(=O)O

InChI

InChI=1S/C19H22FN3O3/c1-2-22-11-14(19(25)26)18(24)13-9-15(20)17(10-16(13)22)23-8-7-21-5-3-12(23)4-6-21/h9-12H,2-8H2,1H3,(H,25,26)

InChIKey

UBGCCYGMLOBJOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108437-28-1

CID: 166565

Formula: C19H22FN3O3

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	359.16451973
Monoisotopic Mass	359.16451973
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	617
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

Catalog	Name
MBS5780087	Binfloxacin