4-(Benzyloxy)-3-(trifluoromethyl)phenylboronic Acid - CAS 1245014-05-4
Catalog: |
BB005898 |
Product Name: |
4-(Benzyloxy)-3-(trifluoromethyl)phenylboronic Acid |
CAS: |
1245014-05-4 |
Synonyms: |
[4-phenylmethoxy-3-(trifluoromethyl)phenyl]boronic acid; [4-phenylmethoxy-3-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-phenylmethoxy-3-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-(Benzyloxy)-3-(trifluoromethyl)phenylboronic Acid (CAS# 1245014-05-4) is a useful research chemical. |
Molecular Weight: | 296.05 |
Molecular Formula: | C14H12F3O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(F)(F)F)(O)O |
InChI: | InChI=1S/C14H12BF3O3/c16-14(17,18)12-8-11(15(19)20)6-7-13(12)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2 |
InChI Key: | WNDRDSTVBFGULJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.96420 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.0831588999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.0831588999999 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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