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Ethyl Perfluorooctanoate

CAT: 0572-TRC-E192630-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E192630-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3108-24-5
Synonyms
Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoate; Ethyl Pentadecafluorooctanoate; Ethyl Ester Pentadecafluorooctanoic Acid;
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C10H5F15O2
Molecular Weight
442.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
CAS Number3108-24-5
PubChem CID76555
IUPAC Nameethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Molecular FormulaC10H5F15O2
Molecular Weight442.12
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity561
SMILES
CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3
InChIKey
JTOFFHFAQBLPTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
CAS: 3108-24-5
CID: 76555
Formula: C10H5F15O2
MW: 442.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.12
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass442.0050018
Monoisotopic Mass442.0050018
Topological Polar Surface Area26.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-263314AEthyl perfluorooctanoate
sc-264304ASilver perfluorooctanoate
sc-358082AButyl perfluorooctanoate
sc-264321Sodium perfluorooctanoate
sc-264490Vinyl perfluorooctanoate
sc-235837Methyl perfluorooctanoate
sc-3577964-Vinylbenzyl perfluorooctanoate
106-33-2Ethyl dodecanoate (Ethyl laurate)
MBS6052231-01Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
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