Darifenacin Bromo Impurity

CAT: 1299-RM-D180602-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D180602-01Size:10 mg

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CAS Number

127264-14-6

Synonyms

2- (2,3-Dihydrobenzfuran-5-yl) bromoethane

Molecular Formula

C10H11BrO

Molecular Weight

227.1

Target Alternative Name

Darifenacin

Product Name Synonym

2- (2,3-Dihydrobenzfuran-5-yl) bromoethane

Chemical Information

5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran

CAS Number	127264-14-6
PubChem CID	21831160
IUPAC Name	5-(2-bromoethyl)-2,3-dihydro-1-benzofuran
Molecular Formula	C10H11BrO
Molecular Weight	227.10
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

C1COC2=C1C=C(C=C2)CCBr

InChI

InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2

InChIKey

JRKZQRRYNCMSCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127264-14-6

CID: 21831160

Formula: C10H11BrO

MW: 227.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.10
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.99933
Monoisotopic Mass	225.99933
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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

Catalog	Name
RM-D180605-01	Darifenacin Dehydro Impurity
RM-D180604-01	Darifenacin Cyano Impurity
RM-D180611-01	Darifenacin Impurity 1
RM-D180610-01	Darifenacin Morpholine Amide Impurity
RM-D180608-01	Darifenacin Pyrrolidine Impurity Racemate
RM-D180603-01	Darifenacin Carboxylic Acid Impurity
RM-D180606-01	Darifenacin Dimer-1 Impurity
RM-D180607-01	Darifenacin Dimer-2 Impurity
RM-D180609-01	Darifenacin Pyrrolidine Impurity S-Isomer
RM-D180600-01	Darifenacin Hbr

Catalog	Name
AR-D01251-01	Darifenacin Bromo Impurity
AR-D06481-01	Darifenacin 2,3-Dehydro Bromo Impurity
CS-O-15283	7-Bromo Darifenacin
AR-D01249-01	Darifenacin Impurity H
AR-D06480-01	Darifenacin Impurity 9
AR-D06488-01	Darifenacin Impurity 6
AR-D06477-01	Darifenacin Impurity 5
AR-D06472-01	Darifenacin Impurity D
CS-O-43262	Darifenacin nitroso impurity
AR-D01248-01	Darifenacin Impurity E