2,5-Difluoro-4-ethoxyphenylboronic acid - CAS 1452575-83-5
Catalog: |
BB067035 |
Product Name: |
2,5-Difluoro-4-ethoxyphenylboronic acid |
CAS: |
1452575-83-5 |
Synonyms: |
2,5-DIFLUORO-4-ETHOXYPHENYLBORONIC ACID; (4-ethoxy-2,5-difluorophenyl)boronic acid |
IUPAC Name: | (4-ethoxy-2,5-difluorophenyl)boronic acid |
Description: | 2,5-Difluoro-4-ethoxyphenylboronic acid |
Molecular Weight: | 201.96 |
Molecular Formula: | C8H9BF2O3 |
Canonical SMILES: | B(C1=CC(=C(C=C1F)OCC)F)(O)O |
InChI: | InChI=1S/C8H9BF2O3/c1-2-14-8-4-6(10)5(9(12)13)3-7(8)11/h3-4,12-13H,2H2,1H3 |
InChI Key: | MCHGZBKHWUZZTJ-UHFFFAOYSA-N |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0612806 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0612806 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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