Empagliflozin Impurity 325

CAT: 1299-RM-E132925-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E132925-01Size:10 mg

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CAS Number

143128-40-9

Synonyms

(2-chloro-4-iodophenyl) (4-fluorophenyl) methanone

Molecular Formula

C13H7ClFIO

Molecular Weight

360.55

Target Alternative Name

Empagliflozin

Product Name Synonym

(2-chloro-4-iodophenyl) (4-fluorophenyl) methanone

Chemical Information

Empagliflozin Impurity 325

CAS Number	143128-40-9
PubChem CID	19106769
IUPAC Name	(2-chloro-4-iodophenyl)-(4-fluorophenyl)methanone
Molecular Formula	C13H7ClFIO
Molecular Weight	360.55
XLogP	4.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	279

SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)I)Cl)F

InChI

InChI=1S/C13H7ClFIO/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H

InChIKey

HMLNWNJEDLFRRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 143128-40-9

CID: 19106769

Formula: C13H7ClFIO

MW: 360.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.55
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	359.92142
Monoisotopic Mass	359.92142
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279
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