Empagliflozin Impurity 174

CAT: 1299-RM-E131774-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E131774-01Size:10 mg

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CAS Number

1919893-83-6

Synonyms

(3-bromo-2-chlorophenyl) (4-fluorophenyl) methanone

Molecular Formula

C13H7BrClFO

Molecular Weight

313.55

Target Alternative Name

Empagliflozin

Product Name Synonym

(3-bromo-2-chlorophenyl) (4-fluorophenyl) methanone

Chemical Information

(3-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone

CAS Number	1919893-83-6
PubChem CID	104356792
IUPAC Name	(3-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
Molecular Formula	C13H7BrClFO
Molecular Weight	313.55
XLogP	4.7
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(=C(C(=C1)Br)Cl)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H7BrClFO/c14-11-3-1-2-10(12(11)15)13(17)8-4-6-9(16)7-5-8/h1-7H

InChIKey

KKAGWXROEAUIGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1919893-83-6

CID: 104356792

Formula: C13H7BrClFO

MW: 313.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.55
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	311.93528
Monoisotopic Mass	311.93528
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