Flecainide Impurity D

CAT: 0127-BUP13675-03Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13675-03Size:500 mg

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CAS Number

35480-52-5

Purity

=98%

Smiles

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

Chemical Information

2,5-bis(2,2,2-trifluoroethoxy)benzoic Acid

CAS Number	35480-52-5
PubChem CID	2736078
IUPAC Name	2,5-bis(2,2,2-trifluoroethoxy)benzoic acid
Molecular Formula	C11H8F6O4
Molecular Weight	318.17
XLogP	3.5
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=C1OCC(F)(F)F)C(=O)O)OCC(F)(F)F

InChI

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

InChIKey

YPGYLCZBZKRYQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35480-52-5

CID: 2736078

Formula: C11H8F6O4

MW: 318.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.17
XLogP3	3.5
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

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Catalog	Name
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
CS-O-43016	Flecainide DINitroso impurity
T0667-01	Flecainide Impurity D
AR-F01527-01	Flecainide Impurity 2