(Pentafluorophenoxy) acetyl chloride

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CAT#:0024-sc-506410Size:1 g

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CAS Number

55502-53-9

Chemical Information

(Pentafluorophenoxy)acetyl chloride

CAS Number	55502-53-9
PubChem CID	97020
IUPAC Name	2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
Molecular Formula	C8H2ClF5O2
Molecular Weight	260.54
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	251

SMILES

C(C(=O)Cl)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2

InChIKey

WQLJMPAQIWVNGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55502-53-9

CID: 97020

Formula: C8H2ClF5O2

MW: 260.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.54
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	259.9663478
Monoisotopic Mass	259.9663478
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251
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
sc-207253	Acetyl chloride
sc-207253A	Acetyl chloride
sc-237878	2- (Pentafluorophenoxy) ethanol
sc-257063A	Acetyl-β-methylcholine chloride
sc-257062	Acetyl chloride-d3
sc-257063	Acetyl-β-methylcholine chloride
sc-257061	Acetyl chloride-13C2
sc-331665	P-Tolyl-acetyl chloride
sc-288267	(2-nitrophenoxy) acetyl chloride
sc-335211	(2-fluorophenoxy) acetyl chloride

Catalog	Name
PC0088	(Pentafluorophenoxy) acetyl chloride
00524-05	Acetyl Chloride
258285-01	Acetyl Chloride discontinued
TRC-A164498-100MG	Acetyl-13C2 Chloride
OR1003710-01	(Phenylthio) acetyl chloride
OR1002940-01	(Methanesulphonyl) acetyl chloride
TRC-C997445-250MG	Viladozone Acetyl Chloride
GPS3225-B	Acetyl Chloride 98%
162509	Acetyl-d3 Chloride
FP02656-01	Phenyl acetyl chloride