4-Bromo-2-fluoro-5-methylphenylboronic acid - CAS 677777-57-0
Catalog: |
BB071856 |
Product Name: |
4-Bromo-2-fluoro-5-methylphenylboronic acid |
CAS: |
677777-57-0 |
Synonyms: |
(4-Bromo-2-fluoro-5-methylphenyl)boronic acid; 4-Bromo-2-fluoro-5-methylphenylboronic acid; (4-Bromo-2-fluoro-5-methylphenyl)boronicacid |
IUPAC Name: | (4-bromo-2-fluoro-5-methylphenyl)boronic acid |
Description: | 4-Bromo-2-fluoro-5-methylphenylboronic acid |
Molecular Weight: | 232.84 |
Molecular Formula: | C7H7BBrFO2 |
Canonical SMILES: | B(C1=CC(=C(C=C1F)Br)C)(O)O |
InChI: | InChI=1S/C7H7BBrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3 |
InChI Key: | IZFBYUHHOMKXAR-UHFFFAOYSA-N |
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: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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