4-Formyl-2-trifluoromethylphenylboronic acid - CAS 1777807-55-2
Catalog: |
BB064548 |
Product Name: |
4-Formyl-2-trifluoromethylphenylboronic acid |
CAS: |
1777807-55-2 |
Synonyms: |
B-[4-Formyl-2-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-formyl-2-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Formyl-2-trifluoromethylphenylboronic acid is useful as a reactant/reagent in preparation of spirocyclic-substituted biphenylhexafluoropropanol compds. as ROR-gamma modulators. |
Molecular Weight: | 217.94 |
Molecular Formula: | C8H6BF3O3 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C=O)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H6BF3O3/c10-8(11,12)6-3-5(4-13)1-2-7(6)9(14)15/h1-4,14-15H |
InChI Key: | QIYYXFOYNKDPEB-UHFFFAOYSA-N |
References: | Mohan, Raju.,PCT Int. Appl.,Patent,148(2019). |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0362087 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0362087 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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