Pentafluorophenyl 2-chloroacetate

CAT: 0926-QJA48799-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-QJA48799-01Size:0.5 g

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CAS Number

240487-99-4

MDL Number

MFCD19686239

Smiles

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

Molecular Formula

C8H2ClF5O2

Molecular Weight

260.54 g/mol

Controlled

Chemical Information

Pentafluorophenyl 2-chloroacetate

CAS Number	240487-99-4
PubChem CID	54594019
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) 2-chloroacetate
Molecular Formula	C8H2ClF5O2
Molecular Weight	260.54
XLogP	2.8
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)OC1=C(C(=C(C(=C1F)F)F)F)F)Cl

InChI

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

InChIKey

VVKNQIGLUQLDPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 240487-99-4

CID: 54594019

Formula: C8H2ClF5O2

MW: 260.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.54
XLogP3	2.8
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
GAA13523-01	Chloromethyl 2-chloroacetate
AAA71938-01	2- (Pentafluorophenyl) propanedinitrile
AAA14018	Benzyl chloroacetate
FE23039-01	Ethyl chloroacetate
AAA10548	Isopropyl Chloroacetate
CAA91614	Allyl chloroacetate
KCA94504-01	2- (2-Chloroacetamido) ethyl 2-chloroacetate
ZEA57393-01	Methyl 2- (4-bromophenyl) -2-chloroacetate
VYB02042-01	4-Piperidinyl 2-chloroacetate hydrochloride
ZXB26221-01	Pentafluorophenyl pyridine-2-sulfonate

Catalog	Name
sc-263991	Pentafluorophenyl 2-morpholinobenzoate
PC5671	2- (Pentafluorophenyl) ethanol
sc-264003	Pentafluorophenyl pyridine-2-carboxylate
sc-338376A	Pentafluorophenyl 2-bromo-benzenesulfonate
PC10303	Pentafluorophenyl propane-2-sulphonate
sc-258834	1-Pentafluorophenyl-2-thiourea
sc-478662	2- (Pentafluorophenyl) azetidine Hydrochloride
PC5699	2- (Pentafluorophenyl) propan-2-ol
sc-263992A	Pentafluorophenyl 2-phenylpyridine-5-carboxylate
PC10305	Pentafluorophenyl 4-bromo-2-chlorobenzenesulphonate