| CAS Number | 2096341-46-5 |
| Catalog Number | AG01EHOC |
| Chemical Name | 2-Butoxy-4-fluoro-5-methylphenylboronic acid |
| IUPAC Name | (2-butoxy-4-fluoro-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C11H16BFO3/c1-3-4-5-16-11-7-10(13)8(2)6-9(11)12(14)15/h6-7,14-15H,3-5H2,1-2H3 |
| InChI Key | QCCNHNTUKBHAAU-UHFFFAOYSA-N |
| MDL Number | MFCD20231449 |
| Molecular Formula | C11H16BFO3 |
| Molecular Weight | 226.0523 |
| SMILES | CCCCOc1cc(F)c(cc1B(O)O)C |
| Synonyms | 2-Butoxy-4-fluoro-5-methylphenylboronic acid,
2096341-46-5,
(2-butoxy-4-fluoro-5-methylphenyl)boronic acid,
C11H16BFO3,
MFCD20231449,
AKOS027359457,
ZINC169955310,
Y2277,
B-9489,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.054g/mol |
| Monoisotopic Mass | 226.118g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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