2-Hydroxy-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester - CAS 779331-13-4
Catalog: |
BB036082 |
Product Name: |
2-Hydroxy-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester |
CAS: |
779331-13-4 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol |
IUPAC Name: | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol |
Description: | 2-Hydroxy-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester (CAS# 779331-13-4 ) is a useful research chemical. |
Molecular Weight: | 288.07 |
Molecular Formula: | C13H16F3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(F)(F)F)O |
InChI: | InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-8(13(15,16)17)5-6-10(9)18/h5-7,18H,1-4H3 |
InChI Key: | BOSFAXKLICWRSZ-UHFFFAOYSA-N |
LogP: | 2.71020 |
Publication Number | Title | Priority Date |
EP-2240434-A1 | 2-phenyl phenoxyacetic acids useful for treating inflammatory disorders | 20080107 |
JP-2011508787-A | 2-Phenylphenoxyacetic acid useful for treating inflammatory diseases | 20080107 |
US-2011136877-A1 | 2-phenyl phenoxyacetic acids useful for treating inflammatory disorders | 20080107 |
WO-2009089192-A1 | 2-phenyl phenoxyacetic acids useful for treating inflammatory disorders | 20080107 |
EP-1799658-A2 | Modulators of crth2 rezeptor activity for the treatment of prostaglandin d2 mediated diseases | 20041005 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.114459 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.114459 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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