Empagliflozin Impurity 123

CAT: 1299-RM-E131723-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E131723-01Size:10 mg

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CAS Number

915095-89-5

Synonyms

(S) -3- (4- (5-bromo-2-chlorobenzyl) phenoxy) tetrahydrofuran

Molecular Formula

C17H16BrClO2

Molecular Weight

367.66

Target Alternative Name

Empagliflozin

Product Name Synonym

(S) -3- (4- (5-bromo-2-chlorobenzyl) phenoxy) tetrahydrofuran

Chemical Information

(S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran

CAS Number	915095-89-5
PubChem CID	15941217
IUPAC Name	(3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane
Molecular Formula	C17H16BrClO2
Molecular Weight	367.7
XLogP	5.2
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	320

SMILES

C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1

InChIKey

HUNLNKBDQXGMAP-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 915095-89-5

CID: 15941217

Formula: C17H16BrClO2

MW: 367.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.7
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	366.00222
Monoisotopic Mass	366.00222
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes