2-Hydroxy-5-(trifluoromethoxy)phenylboronic Acid - CAS 1354819-26-3
Catalog: |
BB060811 |
Product Name: |
2-Hydroxy-5-(trifluoromethoxy)phenylboronic Acid |
CAS: |
1354819-26-3 |
Synonyms: |
B-[2-Hydroxy-5-(trifluoromethoxy)phenyl]boronic Acid; [2-Hydroxy-5-(trifluoromethoxy)phenyl]boronic Acid |
IUPAC Name: | [2-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid |
Description: | 2-Hydroxy-5-(trifluoromethoxy)phenylboronic Acid can be used as Nav1.7 inhibitors. |
Molecular Weight: | 221.93 |
Molecular Formula: | C7H6BF3O4 |
Canonical SMILES: | B(C1=C(C=CC(=C1)OC(F)(F)F)O)(O)O |
InChI: | InChI=1S/C7H6BF3O4/c9-7(10,11)15-4-1-2-6(12)5(3-4)8(13)14/h1-3,12-14H |
InChI Key: | KZPLYVRPYPBPSQ-UHFFFAOYSA-N |
Melting Point: | 174 - 177° C |
Solubility: | DMSO (Sparingly), Methanol (Slightly) |
Appearance: | Pale Beige to Light Brown Solid |
Storage: | 4°C, Inert atmosphere |
References: | Markworth, C.J., et.al. PCT Int. Appl., 82, (2012). |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0311233 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0311233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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