4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid - CAS 1451393-15-9
Catalog: |
BB072057 |
Product Name: |
4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid |
CAS: |
1451393-15-9 |
Synonyms: |
4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid; 4-Bromo-2-fluoro-5(trifluoromethyl)phenylboronic acid; (4-bromo-2-fluoro-5-(trifluoromethyl)phenyl)boronic acid; [4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid is a useful research chemical. |
Molecular Weight: | 286.81 |
Molecular Formula: | C7H4BBrF4O2 |
Canonical SMILES: | B(C1=CC(=C(C=C1F)Br)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H4BBrF4O2/c9-5-2-6(10)4(8(14)15)1-3(5)7(11,12)13/h1-2,14-15H |
InChI Key: | PKNMTVAEKUCNKC-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.94238 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.94238 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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