3-Fluoro-2,4-dimethoxyphenylboronic acid - CAS 949146-39-8
Catalog: |
BB065243 |
Product Name: |
3-Fluoro-2,4-dimethoxyphenylboronic acid |
CAS: |
949146-39-8 |
Synonyms: |
(3-Fluoro-2,4-dimethoxyphenyl)boronic acid; 3-FLUORO-2,4-DIMETHOXYPHENYLBORONIC ACID; 2,4-Dimethoxy-3-fluorophenylboronic acid; (3-Fluoro-2,4-dimethoxyphenyl)boronicacid |
IUPAC Name: | (3-fluoro-2,4-dimethoxyphenyl)boronic acid |
Description: | 3-Fluoro-2,4-dimethoxyphenylboronic acid |
Molecular Weight: | 199.97 |
Molecular Formula: | C8H10BFO4 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)OC)F)OC)(O)O |
InChI: | InChI=1S/C8H10BFO4/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4,11-12H,1-2H3 |
InChI Key: | BISXERIORTWMKJ-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0656171 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0656171 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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