Norfloxacin Impurity 1

CAT: 1596-AR-N01785-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N01785-01Size:10 Units

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CAS Number

106847-40-9

Synonyms

5-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Molecular Formula

C12H9ClFNO3

Molecular Weight

269.66

API Name

Norfloxacin

Chemical Information

Norfloxacin Impurity 1

CAS Number	106847-40-9
PubChem CID	57495056
IUPAC Name	5-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C12H9ClFNO3
Molecular Weight	269.65
XLogP	3.1
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	412

SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2Cl)F)C(=O)O

InChI

InChI=1S/C12H9ClFNO3/c1-2-15-5-6(12(17)18)11(16)9-8(15)4-3-7(14)10(9)13/h3-5H,2H2,1H3,(H,17,18)

InChIKey

MICBTFRMKYLDRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106847-40-9

CID: 57495056

Formula: C12H9ClFNO3

MW: 269.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.65
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	269.0254990
Monoisotopic Mass	269.0254990
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	412
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