Methyl 2,3,5,6-Tetrafluorobenzoate - CAS 4707-12-4
Catalog: |
BB026218 |
Product Name: |
Methyl 2,3,5,6-Tetrafluorobenzoate |
CAS: |
4707-12-4 |
Synonyms: |
2,3,5,6-tetrafluorobenzoic acid methyl ester; methyl 2,3,5,6-tetrafluorobenzoate |
IUPAC Name: | methyl 2,3,5,6-tetrafluorobenzoate |
Description: | Methyl 2,3,5,6-Tetrafluorobenzoate (CAS# 4707-12-4 ) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC(=C1F)F)F)F |
InChI: | InChI=1S/C8H4F4O2/c1-14-8(13)5-6(11)3(9)2-4(10)7(5)12/h2H,1H3 |
InChI Key: | UTVICBCTIZYQOA-UHFFFAOYSA-N |
LogP: | 2.02960 |
Publication Number | Title | Priority Date |
JP-2019043890-A | Ester compounds and uses thereof | 20170901 |
WO-2018187336-A1 | Hydrogen bond directed photocatalytic hydrodefluorination and methods of use thereof | 20170403 |
US-2020399196-A1 | Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof | 20170403 |
US-2013085276-A1 | Carboxylation catalysts | 20100609 |
US-9120711-B2 | Carboxylation catalysts | 20100609 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.01474201 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.01474201 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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