| CAS Number | 2096329-70-1 |
| Catalog Number | AG01EHIJ |
| Chemical Name | 3-Butoxy-2,4-difluorophenylboronic acid |
| IUPAC Name | (3-butoxy-2,4-difluorophenyl)boronic acid |
| InChI | InChI=1S/C10H13BF2O3/c1-2-3-6-16-10-8(12)5-4-7(9(10)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3 |
| InChI Key | XLQMUWAHCITXBG-UHFFFAOYSA-N |
| MDL Number | MFCD19981530 |
| Molecular Formula | C10H13BF2O3 |
| Molecular Weight | 230.0162 |
| SMILES | CCCCOc1c(F)ccc(c1F)B(O)O |
| Synonyms | 3-Butoxy-2,4-difluorophenylboronic acid,
2096329-70-1,
(3-butoxy-2,4-difluorophenyl)boronic acid,
MFCD19981530,
ZINC169955569,
Y2496,
B-9258,
C10H13BF2O3,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.018g/mol |
| Monoisotopic Mass | 230.093g/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
Lot Number