Ciprofloxacin Impurity 45

CAT: 1299-RM-C160645-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C160645-01Size:10 mg

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

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CAS Number

26893-12-9

Synonyms

Ethyl 4-hydroxy-6- (trifluoromethyl) quinoline-3-carboxylate

Molecular Formula

C13H10F3NO3

Molecular Weight

285.22

Target Alternative Name

Ciprofloxacin

Chemical Information

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

CAS Number	26893-12-9
PubChem CID	2737196
IUPAC Name	ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
Molecular Formula	C13H10F3NO3
Molecular Weight	285.22
XLogP	2.9
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	445

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)

InChIKey

SPGPSFWOMJQSDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26893-12-9

CID: 2737196

Formula: C13H10F3NO3

MW: 285.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.22
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	285.06127767
Monoisotopic Mass	285.06127767
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445
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