2-Hydroxy-4-(trifluoromethoxy)phenylboronic Acid - CAS 1309768-22-6
Catalog: |
BB064185 |
Product Name: |
2-Hydroxy-4-(trifluoromethoxy)phenylboronic Acid |
CAS: |
1309768-22-6 |
Synonyms: |
[2-Hydroxy-4-(trifluoromethoxy)phenyl]boronic Acid; B-[2-Hydroxy-4-(trifluoromethoxy)phenyl]boronic Acid |
IUPAC Name: | [2-hydroxy-4-(trifluoromethoxy)phenyl]boronic acid |
Description: | 2-Hydroxy-4-(trifluoromethoxy)phenylboronic Acid is used as sodium channel modulators. |
Molecular Weight: | 221.93 |
Molecular Formula: | C7H6BF3O4 |
Canonical SMILES: | B(C1=C(C=C(C=C1)OC(F)(F)F)O)(O)O |
InChI: | InChI=1S/C7H6BF3O4/c9-7(10,11)15-4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H |
InChI Key: | RQCNMAAZFRLTGZ-UHFFFAOYSA-N |
References: | Corkey, Britton. et al., U.S. Pat. Appl. Publ. (2011). |
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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