Empagliflozin Impurity 143

CAT: 1299-RM-E131743-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E131743-01Size:10 mg

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

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CAS Number

1806-23-1

Synonyms

(2-chlorophenyl) (4-fluorophenyl) methanone

Molecular Formula

C13H8ClFO

Molecular Weight

234.65

Target Alternative Name

Empagliflozin

Product Name Synonym

(2-chlorophenyl) (4-fluorophenyl) methanone

Chemical Information

2-Chloro-4'-fluorobenzophenone

CAS Number	1806-23-1
PubChem CID	74547
IUPAC Name	(2-chlorophenyl)-(4-fluorophenyl)methanone
Molecular Formula	C13H8ClFO
Molecular Weight	234.65
XLogP	3.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	248

SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H

InChIKey

DODIKYQYCCFWRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806-23-1

CID: 74547

Formula: C13H8ClFO

MW: 234.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.65
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	234.0247707
Monoisotopic Mass	234.0247707
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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