2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester - CAS 1334607-81-6
Catalog: |
BB063846 |
Product Name: |
2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester |
CAS: |
1334607-81-6 |
Synonyms: |
2-isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine; 2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester; 2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine |
IUPAC Name: | 2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine |
Description: | 2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester |
Molecular Weight: | 331.14 |
Molecular Formula: | C15H21BF3NO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC(C)C)C(F)(F)F |
InChI: | InChI=1S/C15H21BF3NO3/c1-9(2)21-12-11(15(17,18)19)7-10(8-20-12)16-22-13(3,4)14(5,6)23-16/h7-9H,1-6H3 |
InChI Key: | ILSFYCBFQZKMJN-UHFFFAOYSA-N |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.1566582 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.1566582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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