3-Cyano-5-(trifluoromethyl)phenylboronic Acid - CAS 1212021-62-9
Catalog: |
BB005108 |
Product Name: |
3-Cyano-5-(trifluoromethyl)phenylboronic Acid |
CAS: |
1212021-62-9 |
Synonyms: |
[3-cyano-5-(trifluoromethyl)phenyl]boronic acid; [3-cyano-5-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-cyano-5-(trifluoromethyl)phenyl]boronic acid |
Description: | 3-Cyano-5-(trifluoromethyl)phenylboronic Acid (CAS# 1212021-62-9) is a useful research chemical. |
Molecular Weight: | 214.94 |
Molecular Formula: | C8H5F3NO2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)C(F)(F)F)C#N)(O)O |
InChI: | InChI=1S/C8H5BF3NO2/c10-8(11,12)6-1-5(4-13)2-7(3-6)9(14)15/h1-3,14-15H |
InChI Key: | CTJAWCWPRYNDDQ-UHFFFAOYSA-N |
Solubility: | Slightly soluble in water. |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.25688 |
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 |
US-2011218192-A1 | Inhibitors Of Beta-Secretase | 20080819 |
WO-2010021680-A2 | Inhibitors of beta-secretase | 20080819 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0365431 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0365431 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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