3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester - CAS 631909-42-7
Catalog: |
BB032045 |
Product Name: |
3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester |
CAS: |
631909-42-7 |
Synonyms: |
2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone; 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
IUPAC Name: | 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
Description: | 3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester (CAS# 631909-42-7) is a useful research chemical. |
Molecular Weight: | 300.08 |
Molecular Formula: | C14H16F3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)C(F)(F)F |
InChI: | InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8H,1-4H3 |
InChI Key: | SSSNNFUDRJNVLI-UHFFFAOYSA-N |
MDL: | MFCD18915048 |
LogP: | 2.73080 |
Publication Number | Title | Priority Date |
WO-2021093817-A1 | Immunomodulatory compounds, composition and application thereof | 20191115 |
US-2008019915-A1 | Modulators of ATP-binding cassette transporters | 20051108 |
US-2010087435-A1 | Modulators of atp-binding cassette transporters | 20051108 |
US-2011172229-A1 | Modulators of atp-binding cassette transporters | 20051108 |
US-2012232059-A1 | Modulators of ATP-Binding Cassette Transporters | 20051108 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.114459 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.114459 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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