Flecainide Acetate Impurity 2

CAT: 1596-AR-F10153-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10153-01Size:10 Units

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CAS Number

35480-50-3

Synonyms

2,3-Bis (2,2,2-trifluoroethoxy) benzoic acid

Molecular Formula

C11H8F6O4

Molecular Weight

318.17

API Name

Flecainide

Chemical Information

2,3-Bis(2,2,2-trifluoroethoxy)benzoic acid

CAS Number	35480-50-3
PubChem CID	17919957
IUPAC Name	2,3-bis(2,2,2-trifluoroethoxy)benzoic acid
Molecular Formula	C11H8F6O4
Molecular Weight	318.17
XLogP	3.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	354

SMILES

C1=CC(=C(C(=C1)OCC(F)(F)F)OCC(F)(F)F)C(=O)O

InChI

InChI=1S/C11H8F6O4/c12-10(13,14)4-20-7-3-1-2-6(9(18)19)8(7)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)

InChIKey

WMADYFXBXCQPHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35480-50-3

CID: 17919957

Formula: C11H8F6O4

MW: 318.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.17
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	318.03267770
Monoisotopic Mass	318.03267770
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	354
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
AR-F10152-01	Flecainide Acetate Impurity 1
AR-F09401-01	Flecainide Acetate
AR-F01527-01	Flecainide Impurity 2
AR-F01526-01	Flecainide EP Impurity A
AR-F09478-01	Flecainide Impurity 4
AR-F10150-01	Flecainide Impurity 19
AR-F10148-01	Flecainide Impurity 17
AR-F10147-01	Flecainide Impurity 16
AR-F10139-01	Flecainide Impurity 8
AR-F10138-01	Flecainide Impurity 7

Catalog	Name
RM-F120806-01	Flecainide Acetate Impurity 6
RM-F120801-01	Flecainide Acetate EP Impurity A
RM-F120805-01	Flecainide Acetate EP Impurity E
RM-F120804-01	Flecainide Acetate EP Impurity D
RM-F120802-01	Flecainide Acetate EP Impurity B
RM-F120803-01	Flecainide Acetate EP Impurity C
326768	Flecainide acetate
HY-17429-01	Flecainide (acetate)