6-Ethoxy-5-(trifluoromethyl)-3-pyridinyl boronic acid - CAS 849934-85-6
Catalog: |
BB065966 |
Product Name: |
6-Ethoxy-5-(trifluoromethyl)-3-pyridinyl boronic acid |
CAS: |
849934-85-6 |
Synonyms: |
(6-Ethoxy-5-(trifluoromethyl)pyridin-3-yl)boronic acid; 6-ETHOXY-5-(TRIFLUOROMETHYL)-3-PYRIDINYL BORONIC ACID; [6-Ethoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid; 6-ethoxy-5-(trifluoromethyl)pyridin-3-ylboronic acid; (6-Ethoxy-5-(trifluoromethyl)pyridin-3-yl)boronicacid |
IUPAC Name: | [6-ethoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
Molecular Weight: | 234.97 |
Molecular Formula: | C8H9BF3NO3 |
Canonical SMILES: | B(C1=CC(=C(N=C1)OCC)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H9BF3NO3/c1-2-16-7-6(8(10,11)12)3-5(4-13-7)9(14)15/h3-4,14-15H,2H2,1H3 |
InChI Key: | OFQUWRKGOGCLPI-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0627578 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0627578 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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