3-Bromo-6-fluoro-2-methoxyphenylboronic Acid - CAS 957120-30-8
Catalog: |
BB041819 |
Product Name: |
3-Bromo-6-fluoro-2-methoxyphenylboronic Acid |
CAS: |
957120-30-8 |
Synonyms: |
(3-bromo-6-fluoro-2-methoxyphenyl)boronic acid; (3-bromo-6-fluoro-2-methoxyphenyl)boronic acid |
IUPAC Name: | (3-bromo-6-fluoro-2-methoxyphenyl)boronic acid |
Description: | 3-Bromo-6-fluoro-2-methoxyphenylboronic Acid (CAS# 957120-30-8) is a useful research chemical. |
Molecular Weight: | 248.84 |
Molecular Formula: | C7H7BrFO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1OC)Br)F)(O)O |
InChI: | InChI=1S/C7H7BBrFO3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12/h2-3,11-12H,1H3 |
InChI Key: | YJEJISGIPNUDBB-UHFFFAOYSA-N |
Boiling Point: | 349.7 °C at 760 mmHg |
Density: | 1.68 g/cm3 |
MDL: | MFCD09475911 |
LogP: | 0.27660 |
Publication Number | Title | Priority Date |
AU-2011242569-A1 | Certain amino-pyridazines, compositions thereof, and methods of their use | 20100423 |
AU-2011242569-B2 | Certain amino-pyridazines, compositions thereof, and methods of their use | 20100423 |
AU-2011242575-A1 | Certain amino-pyrimidines, compositions thereof, and methods for their use | 20100423 |
AU-2011242575-B2 | Certain amino-pyrimidines, compositions thereof, and methods for their use | 20100423 |
AU-2011242575-C1 | Certain amino-pyrimidines, compositions thereof, and methods for their use | 20100423 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.96556 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.96556 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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