5-Bromo-2-fluoro-4-methylphenylboronic Acid - CAS 957061-14-2
Catalog: |
BB041813 |
Product Name: |
5-Bromo-2-fluoro-4-methylphenylboronic Acid |
CAS: |
957061-14-2 |
Synonyms: |
(5-bromo-2-fluoro-4-methylphenyl)boronic acid; (5-bromo-2-fluoro-4-methylphenyl)boronic acid |
IUPAC Name: | (5-bromo-2-fluoro-4-methylphenyl)boronic acid |
Description: | 5-Bromo-2-fluoro-4-methylphenylboronic Acid (CAS# 957061-14-2) is a useful research chemical. |
Molecular Weight: | 232.84 |
Molecular Formula: | C7H7BrFO2B |
Canonical SMILES: | B(C1=CC(=C(C=C1F)C)Br)(O)O |
InChI: | InChI=1S/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3 |
InChI Key: | HTOASIJHHJJWRV-UHFFFAOYSA-N |
Boiling Point: | 332.1 °C at 760 mmHg |
Density: | 1.65 g/cm3 |
MDL: | MFCD09258744 |
LogP: | 0.57640 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.97065 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.97065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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