2-Bromomethyl-4-trifluoromethylphenylboronic Acid Pinacol Ester - CAS 1030832-46-2
Catalog: |
BB071482 |
Product Name: |
2-Bromomethyl-4-trifluoromethylphenylboronic Acid Pinacol Ester |
CAS: |
1030832-46-2 |
Synonyms: |
2-(2-(Bromomethyl)-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Bromomethyl-4-trifluoromethylphenylboronic acid, pinacol ester; 2-(bromomethyl)-4-(trifluoromethyl)phenylboronic acid pinacol ester |
IUPAC Name: | 2-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 364.99 |
Molecular Formula: | C14H17BBrF3O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(F)(F)F)CBr |
InChI: | InChI=1S/C14H17BBrF3O2/c1-12(2)13(3,4)21-15(20-12)11-6-5-10(14(17,18)19)7-9(11)8-16/h5-7H,8H2,1-4H3 |
InChI Key: | JZOSNWGJPQXMMC-UHFFFAOYSA-N |
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: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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