Empagliflozin Impurity 323

CAT: 1299-RM-E132923-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E132923-01Size:10 mg

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CAS Number

395-11-9

Synonyms

(4-fluorophenyl) (3-iodophenyl) methanone

Molecular Formula

C13H8FIO

Molecular Weight

326.11

Target Alternative Name

Empagliflozin

Product Name Synonym

(4-fluorophenyl) (3-iodophenyl) methanone

Chemical Information

4-Fluoro-3'-iodobenzophenone

CAS Number	395-11-9
PubChem CID	24722824
IUPAC Name	(4-fluorophenyl)-(3-iodophenyl)methanone
Molecular Formula	C13H8FIO
Molecular Weight	326.10
XLogP	4
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(=CC(=C1)I)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H8FIO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H

InChIKey

ORZADNMJQJUFBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 395-11-9

CID: 24722824

Formula: C13H8FIO

MW: 326.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.10
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	325.96039
Monoisotopic Mass	325.96039
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