Methyl 2,2,3,3,4,4-Hexafluorobutyrate - CAS 356-32-1
Catalog: |
BB022708 |
Product Name: |
Methyl 2,2,3,3,4,4-Hexafluorobutyrate |
CAS: |
356-32-1 |
Synonyms: |
2,2,3,3,4,4-hexafluorobutanoic acid methyl ester; methyl 2,2,3,3,4,4-hexafluorobutanoate |
IUPAC Name: | methyl 2,2,3,3,4,4-hexafluorobutanoate |
Description: | Methyl 2,2,3,3,4,4-Hexafluorobutyrate (CAS# 356-32-1) is a useful research chemical. |
Molecular Weight: | 210.07 |
Molecular Formula: | C5H4F6O2 |
Canonical SMILES: | COC(=O)C(C(C(F)F)(F)F)(F)F |
InChI: | InChI=1S/C5H4F6O2/c1-13-3(12)5(10,11)4(8,9)2(6)7/h2H,1H3 |
InChI Key: | GUDSBACGSFZSPH-UHFFFAOYSA-N |
Boiling Point: | 99.8 °C at 760 mmHg |
Density: | 1.422 g/cm3 |
MDL: | MFCD00465645 |
LogP: | 1.69510 |
Publication Number | Title | Priority Date |
CA-2415092-A1 | Novel aerosol formulation containing a polar fluorinated molecule | 20000711 |
CN-1455663-A | Novel aerosol formulation containing polar fluorinated molecule | 20000711 |
DE-60123793-T2 | NEW AEROSOL FORMULATIONS CONTAIN A POLAR FLUORINATED MOLECULE | 20000711 |
EP-1303258-A1 | Novel aerosol formulation containing a polar fluorinated molecule | 20000711 |
EP-1303258-B1 | Novel aerosol formulation containing a polar fluorinated molecule | 20000711 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.01154834 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.01154834 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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