Empagliflozin Impurity 359

CAT: 1299-RM-E132959-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E132959-01Size:10 mg

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CAS Number

573-46-6

Synonyms

(2-bromophenyl) (4-fluorophenyl) methanone

Molecular Formula

C13H8BrFO

Molecular Weight

279.11

Target Alternative Name

Empagliflozin

Chemical Information

(2-Bromophenyl)(4-fluorophenyl)methanone

CAS Number	573-46-6
PubChem CID	12542597
IUPAC Name	(2-bromophenyl)-(4-fluorophenyl)methanone
Molecular Formula	C13H8BrFO
Molecular Weight	279.10
XLogP	4.1
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)Br

InChI

InChI=1S/C13H8BrFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H

InChIKey

DIDPRFGMOLQJTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 573-46-6

CID: 12542597

Formula: C13H8BrFO

MW: 279.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.10
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	277.97426
Monoisotopic Mass	277.97426
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