2-Bromo-6-fluorophenylboronic Acid - CAS 913835-80-0
Catalog: |
BB040147 |
Product Name: |
2-Bromo-6-fluorophenylboronic Acid |
CAS: |
913835-80-0 |
Synonyms: |
(2-bromo-6-fluorophenyl)boronic acid; (2-bromo-6-fluorophenyl)boronic acid |
IUPAC Name: | (2-bromo-6-fluorophenyl)boronic acid |
Description: | 2-Bromo-6-fluorophenylboronic Acid (CAS# 913835-80-0) is a useful research chemical. |
Molecular Weight: | 218.82 |
Molecular Formula: | C6H5BrFO2B |
Canonical SMILES: | B(C1=C(C=CC=C1Br)F)(O)O |
InChI: | InChI=1S/C6H5BBrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H |
InChI Key: | MVSHYHSMIRBRGU-UHFFFAOYSA-N |
Boiling Point: | 324.4 ℃ at 760 mmHg |
Melting Point: | 138-143 ℃ (lit.) |
Density: | 1.75 g/cm3 |
LogP: | 0.26800 |
Publication Number | Title | Priority Date |
CN-109661450-B | Organic light emitting device | 20170810 |
EP-3415512-A2 | Novel heterocyclic compound and organic light emitting element using same | 20161107 |
JP-2019513131-A | Novel heterocyclic compound and organic light emitting device using the same | 20161107 |
JP-6638160-B2 | Novel heterocyclic compound and organic light emitting device using the same | 20161107 |
TW-201817727-A | Compound and organic light-emitting device comprising the same | 20161107 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.955 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.955 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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