2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid - CAS 1793003-43-6
Catalog: |
BB063388 |
Product Name: |
2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid |
CAS: |
1793003-43-6 |
Synonyms: |
2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid; [2-fluoro-4-methoxy-3-(2-methylpropoxy)phenyl]boronic acid; 2-Fluoro-3-isobutoxy-4-methoxyphenylboronicacid |
IUPAC Name: | [2-fluoro-4-methoxy-3-(2-methylpropoxy)phenyl]boronic acid |
Description: | 2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid |
Molecular Weight: | 242.05 |
Molecular Formula: | C11H16BFO4 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)OC)OCC(C)C)F)(O)O |
InChI: | InChI=1S/C11H16BFO4/c1-7(2)6-17-11-9(16-3)5-4-8(10(11)13)12(14)15/h4-5,7,14-15H,6H2,1-3H3 |
InChI Key: | CVTXHALYOKFYGH-UHFFFAOYSA-N |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.1125673 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.1125673 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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