3,5-Dichloro-4-fluorophenylboronic acid - CAS 1646614-31-4
Catalog: |
BB067982 |
Product Name: |
3,5-Dichloro-4-fluorophenylboronic acid |
CAS: |
1646614-31-4 |
Synonyms: |
3,5-Dichloro-4-fluorophenylboronic acid; (3,5-dichloro-4-fluorophenyl)boronic acid; 3,5-Dichloro-4-fluorophenylboronicacid |
IUPAC Name: | (3,5-dichloro-4-fluorophenyl)boronic acid |
Description: | 3,5-Dichloro-4-fluorophenylboronic acid |
Molecular Weight: | 208.81 |
Molecular Formula: | C6H4BCl2FO2 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)Cl)F)Cl)(O)O |
InChI: | InChI=1S/C6H4BCl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H |
InChI Key: | OKZYLWQCOUTIMV-UHFFFAOYSA-N |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9665431 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9665431 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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