2-(Bromomethyl)-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester - CAS 1030832-72-4
Catalog: |
BB001014 |
Product Name: |
2-(Bromomethyl)-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1030832-72-4 |
Synonyms: |
2-[2-(bromomethyl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[2-(bromomethyl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[2-(bromomethyl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-(Bromomethyl)-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester (CAS# 1030832-72-4) is a useful research chemical. |
Molecular Weight: | 364.99 |
Molecular Formula: | C14H17BrF3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(F)(F)F)CBr |
InChI: | InChI=1S/C14H17BBrF3O2/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(17,18)19)6-5-9(11)8-16/h5-7H,8H2,1-4H3 |
InChI Key: | GDYCGJMXMOEPQO-UHFFFAOYSA-N |
LogP: | 3.89950 |
Publication Number | Title | Priority Date |
AU-2007325650-A1 | Oxidation resistant indicator molecules | 20061130 |
AU-2007325650-B2 | Oxidation resistant indicator molecules | 20061130 |
CA-2670457-A1 | Oxidation resistant indicator molecules | 20061130 |
CA-2670457-C | Oxidation resistant indicator molecules | 20061130 |
EP-2099807-A2 | Oxidation resistant indicator molecules | 20061130 |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.04571 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 364.04571 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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