Methyl 4-(Difluoromethoxy)-3-fluorobenzoate - CAS 321198-19-0
Catalog: |
BB021179 |
Product Name: |
Methyl 4-(Difluoromethoxy)-3-fluorobenzoate |
CAS: |
321198-19-0 |
Synonyms: |
4-(difluoromethoxy)-3-fluorobenzoic acid methyl ester; methyl 4-(difluoromethoxy)-3-fluorobenzoate |
IUPAC Name: | methyl 4-(difluoromethoxy)-3-fluorobenzoate |
Description: | Methyl 4-(Difluoromethoxy)-3-fluorobenzoate (CAS# 321198-19-0 ) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)OC(F)F)F |
InChI: | InChI=1S/C9H7F3O3/c1-14-8(13)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3 |
InChI Key: | FBVZVAWSZDBEND-UHFFFAOYSA-N |
LogP: | 2.21370 |
Publication Number | Title | Priority Date |
WO-2018066718-A1 | Therapeutic compounds | 20161004 |
CZ-20002646-A3 | Triazole and imidazole derivatives, process of their preparation, their use and pharmaceutical preparation in which they are comprised | 20000718 |
AU-4865100-A | Triazole and imidazole derivatives | 19990721 |
AU-773463-B2 | Triazole and imidazole derivatives | 19990721 |
CA-2314009-C | Triazole and imidazole derivatives | 19990721 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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