Octafluoroadipoyl chloride

CAT: 0127-PC3847-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-PC3847-01Size:500 mg

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CAS Number

336-06-1

Synonyms

Perfluoroadipoyl chloride

MDL Number

MFCD00054726

Purity

97%

Smiles

FC(F)(C(=O)Cl)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl

Chemical Information

Octafluoroadipoyl chloride

CAS Number	336-06-1
PubChem CID	2775843
IUPAC Name	2,2,3,3,4,4,5,5-octafluorohexanedioyl dichloride
Molecular Formula	C6Cl2F8O2
Molecular Weight	326.95
XLogP	4
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	344

SMILES

C(=O)(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C6Cl2F8O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18

InChIKey

NGSYNEZFBAPQFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 336-06-1

CID: 2775843

Formula: C6Cl2F8O2

MW: 326.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.95
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	325.9147599
Monoisotopic Mass	325.9147599
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	344
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
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OR12994-01	Cyclopentanesulphonyl chloride
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Catalog	Name
FO78854-01	Octafluoroadipoyl difluoride
189775-01	Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01	TMA chloride-d12 (chloride)
3125490	Tin chloride (stannous chloride)
3121645	Cobalt chloride (Cobaltous chloride)
3125225	Stannous chloride (tin chloride)
3123430	Manganous chloride (Manganese chloride)
53473813-100g	Hexadecyltrimethylammonium chloride (Cetyltrimethylammonium chloride)
3121825	Cupric chloride (Copper chloride)
sc-279274	Lithium chloride-potassium chloride