3-Butoxy-2-fluorophenylboronic acid - CAS 871125-94-9
Catalog: |
BB055361 |
Product Name: |
3-Butoxy-2-fluorophenylboronic acid |
CAS: |
871125-94-9 |
Synonyms: |
(3-Butoxy-2-fluorophenyl)boronic acid; 3-Butoxy-2-fluorophenylboronic acid; (3-Butoxy-2-fluorophenyl)boronicacid |
IUPAC Name: | (3-butoxy-2-fluorophenyl)boronic acid |
Description: | 3-Butoxy-2-fluorophenylboronic acid |
Molecular Weight: | 212.03 |
Molecular Formula: | C10H14BFO3 |
Canonical SMILES: | B(C1=C(C(=CC=C1)OCCCC)F)(O)O |
InChI: | InChI=1S/C10H14BFO3/c1-2-3-7-15-9-6-4-5-8(10(9)12)11(13)14/h4-6,13-14H,2-3,7H2,1H3 |
InChI Key: | WNJLIXXAMYHSLC-UHFFFAOYSA-N |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.1020026 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.1020026 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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