4-(Trifluoromethyl)benzylboronic Acid Pinacol Ester - CAS 475250-46-5
Catalog: |
BB026331 |
Product Name: |
4-(Trifluoromethyl)benzylboronic Acid Pinacol Ester |
CAS: |
475250-46-5 |
Synonyms: |
4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane |
Description: | 4-(Trifluoromethyl)benzylboronic Acid Pinacol Ester (CAS# 475250-46-5) is a useful research chemical. |
Molecular Weight: | 286.10 |
Molecular Formula: | C14H18F3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18/h5-8H,9H2,1-4H3 |
InChI Key: | KHVVNJIGKHWRRS-UHFFFAOYSA-N |
Boiling Point: | 285 °C |
Density: | 1.13 g/cm3 |
MDL: | MFCD10698521 |
LogP: | 4.14570 |
Publication Number | Title | Priority Date |
WO-2020251957-A1 | Prostaglandin e2 receptor 4 antagonists and uses thereof | 20190611 |
AU-2018367515-A1 | Immunoproteasome inhibitors | 20171116 |
WO-2019099582-A1 | Immunoproteasome inhibitors | 20171116 |
BR-112020009516-A2 | immunoproteasome inhibitors | 20171116 |
EP-3710458-A1 | Immunoproteasome inhibitors | 20171116 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.1351945 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.1351945 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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