Ciprofloxacin Impurity 47

CAT: 1299-RM-C160647-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C160647-01Size:10 mg

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

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CAS Number

49713-51-1

Synonyms

6- (trifluoromethyl) quinolin-4-ol

Molecular Formula

C10H6F3NO

Molecular Weight

213.16

Target Alternative Name

Ciprofloxacin

Chemical Information

6-(Trifluoromethyl)-4-quinolinol

CAS Number	49713-51-1
PubChem CID	2775135
IUPAC Name	6-(trifluoromethyl)-1H-quinolin-4-one
Molecular Formula	C10H6F3NO
Molecular Weight	213.16
XLogP	1.5
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	298

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C=CN2

InChI

InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)

InChIKey

CEIVPELVRVTMJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49713-51-1

CID: 2775135

Formula: C10H6F3NO

MW: 213.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	213.04014830
Monoisotopic Mass	213.04014830
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298
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