Methyl 2,3,4,5-Tetrafluorobenzoate - CAS 5292-42-2
Catalog: |
BB027984 |
Product Name: |
Methyl 2,3,4,5-Tetrafluorobenzoate |
CAS: |
5292-42-2 |
Synonyms: |
2,3,4,5-tetrafluorobenzoic acid methyl ester; methyl 2,3,4,5-tetrafluorobenzoate |
IUPAC Name: | methyl 2,3,4,5-tetrafluorobenzoate |
Description: | Methyl 2,3,4,5-Tetrafluorobenzoate (CAS# 5292-42-2) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1F)F)F)F |
InChI: | InChI=1S/C8H4F4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3 |
InChI Key: | MAEQYZYOSFAUAF-UHFFFAOYSA-N |
Boiling Point: | 220.3 °C at 760 mmHg |
Density: | 1.443 g/cm3 |
MDL: | MFCD06203829 |
LogP: | 2.02960 |
Publication Number | Title | Priority Date |
WO-2021023154-A1 | Tetracyclic compound, preparation method therefor and use thereof | 20190802 |
CN-109293478-B | Method for preparing tetrafluorobenzyl alcohol | 20181102 |
AU-2014347029-A1 | Method and composition for hydraulic fracturing and for tracing petroleum production | 20131105 |
CA-2929773-A1 | Method and composition for hydraulic fracturing and for tracing petroleum production | 20131105 |
CN-105849366-A | Method and composition for hydraulic fracturing and fr tracing petroleum production | 20131105 |
Complexity: | 223 |
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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