Ciprofloxacin EP IMpurity A

CAT: 0127-BUP18431-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP18431-01Size:500 mg

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

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CAS Number

86393-33-1

Synonyms

Q-Acid, Fluoroquinolonic Acid, Ciprofloxacin Impurity A

Purity

=95%

Smiles

C(O)(=O)C1=CN(C=2C(C1=O)=CC(F)=C(Cl)C2)C3CC3

Chemical Information

Fluoroquinolonic acid

CAS Number	86393-33-1
PubChem CID	483180
IUPAC Name	7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C13H9ClFNO3
Molecular Weight	281.66
XLogP	2.4
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	463

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O

InChI

InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)

InChIKey

ISPVACVJFUIDPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86393-33-1

CID: 483180

Formula: C13H9ClFNO3

MW: 281.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.66
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	281.0254990
Monoisotopic Mass	281.0254990
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	463
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