2-Fluoro-3-propoxyphenylboronic acid - CAS 871126-09-9
Catalog: |
BB064838 |
Product Name: |
2-Fluoro-3-propoxyphenylboronic acid |
CAS: |
871126-09-9 |
Synonyms: |
(2-Fluoro-3-propoxyphenyl)boronic acid; 2-Fluoro-3-propoxyphenylboronic acid; (2-Fluoro-3-propoxyphenyl)boronicacid |
IUPAC Name: | (2-fluoro-3-propoxyphenyl)boronic acid |
Description: | 2-Fluoro-3-propoxyphenylboronic acid |
Molecular Weight: | 198 |
Molecular Formula: | C9H12BFO3 |
Canonical SMILES: | B(C1=C(C(=CC=C1)OCCC)F)(O)O |
InChI: | InChI=1S/C9H12BFO3/c1-2-6-14-8-5-3-4-7(9(8)11)10(12)13/h3-5,12-13H,2,6H2,1H3 |
InChI Key: | DZDCTNMDWXZTDO-UHFFFAOYSA-N |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0863526 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0863526 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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