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Perfluoro(2-methyl-3-oxahexanoyl) Chloride

CAT: 0572-TRC-P999335-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P999335-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72848-57-8
Hazard Statement
Causes serious eye damage; UN number: UN3265; Packing Group: III
Purity
>95% (HPLC)
Smiles
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)Cl
Molecular Formula
C6ClF11O2
Molecular Weight
348.5
Shipping Conditions
Dry Pack
Storage Conditions
+4°C

Chemical Information

2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propanoyl chloride
CAS Number72848-57-8
PubChem CID2782597
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl chloride
Molecular FormulaC6ClF11O2
Molecular Weight348.50
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity385
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)Cl
InChI
InChI=1S/C6ClF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
KLAVPNKIYBZAOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propanoyl chloride
CAS: 72848-57-8
CID: 2782597
Formula: C6ClF11O2
MW: 348.50
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.50
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass347.9411167
Monoisotopic Mass347.9411167
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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