Ciprofloxacin Impurity 46

CAT: 1299-RM-C160646-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C160646-01Size:10 mg

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

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CAS Number

49713-56-6

Synonyms

4-chloro-6- (trifluoromethyl) quinoline

Molecular Formula

C10H5ClF3N

Molecular Weight

231.6

Target Alternative Name

Ciprofloxacin

Chemical Information

4-Chloro-6-(trifluoromethyl)quinoline

CAS Number	49713-56-6
PubChem CID	2736711
IUPAC Name	4-chloro-6-(trifluoromethyl)quinoline
Molecular Formula	C10H5ClF3N
Molecular Weight	231.60
XLogP	3.7
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	231

SMILES

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)Cl

InChI

InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H

InChIKey

FTNQANJWBFKPIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49713-56-6

CID: 2736711

Formula: C10H5ClF3N

MW: 231.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.60
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	231.0062613
Monoisotopic Mass	231.0062613
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	231
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