Methyl 2,4,5-Trifluorobenzoate - CAS 20372-66-1
Catalog: |
BB015865 |
Product Name: |
Methyl 2,4,5-Trifluorobenzoate |
CAS: |
20372-66-1 |
Synonyms: |
2,4,5-trifluorobenzoic acid methyl ester; methyl 2,4,5-trifluorobenzoate |
IUPAC Name: | methyl 2,4,5-trifluorobenzoate |
Description: | Methyl 2,4,5-Trifluorobenzoate (CAS# 20372-66-1) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1F)F)F |
InChI: | InChI=1S/C8H5F3O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3 |
InChI Key: | WHJMGBFVYCLTFS-UHFFFAOYSA-N |
Boiling Point: | 211.7 °C at 760 mmHg |
Density: | 1.358 g/cm3 |
MDL: | MFCD06203702 |
LogP: | 1.89050 |
Publication Number | Title | Priority Date |
US-2018080314-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2018057219-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
EP-3166939-A1 | Therapeutic compounds and methods of use thereof | 20140707 |
EP-3166939-B1 | Therapeutic compounds and methods of use thereof | 20140707 |
US-10005724-B2 | Therapeutic compounds and methods of use thereof | 20140707 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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