2-Chloro-5-(trifluoromethyl)pyridine-3-boronic Acid - CAS 536693-96-6
Catalog: |
BB028310 |
Product Name: |
2-Chloro-5-(trifluoromethyl)pyridine-3-boronic Acid |
CAS: |
536693-96-6 |
Synonyms: |
[2-chloro-5-(trifluoromethyl)-3-pyridinyl]boronic acid; [2-chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
IUPAC Name: | [2-chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
Description: | 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic Acid (CAS# 536693-96-6) is a useful research chemical. |
Molecular Weight: | 225.36 |
Molecular Formula: | C6H4ClF3NO2B |
Canonical SMILES: | B(C1=CC(=CN=C1Cl)C(F)(F)F)(O)O |
InChI: | InChI=1S/C6H4BClF3NO2/c8-5-4(7(13)14)1-3(2-12-5)6(9,10)11/h1-2,13-14H |
InChI Key: | OJUNKVOTAZHNAL-UHFFFAOYSA-N |
Boiling Point: | 336.421 ℃ at 760 mmHg |
Density: | 1.572 g/cm3 |
LogP: | 0.43360 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-1460079-A1 | Dihydroxy(3-pyridyl)borane compounds | 20011128 |
EP-1460079-B1 | Dihydroxy(3-pyridyl)borane compounds | 20011128 |
JP-2003160586-A | New dihydroxy (3-pyridyl) boranes | 20011128 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9975707 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9975707 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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