2-Ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-pyridine - CAS 849934-84-5
Catalog: |
BB065969 |
Product Name: |
2-Ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-pyridine |
CAS: |
849934-84-5 |
Synonyms: |
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine; 2-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)-PYRIDINE; 6-ETHOXY-5-(TRIFLUOROMETHYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER |
IUPAC Name: | 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine |
Description: | 2-Ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-pyridine |
Molecular Weight: | 317.11 |
Molecular Formula: | C14H19BF3NO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OCC)C(F)(F)F |
InChI: | InChI=1S/C14H19BF3NO3/c1-6-20-11-10(14(16,17)18)7-9(8-19-11)15-21-12(2,3)13(4,5)22-15/h7-8H,6H2,1-5H3 |
InChI Key: | VFZJQLKQCNJLIM-UHFFFAOYSA-N |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.1410081 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.1410081 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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