| CAS Number | 2096332-32-8 |
| Catalog Number | AG01EHIL |
| Chemical Name | 3-Butoxy-5-chloro-4-fluorophenylboronic acid |
| IUPAC Name | (3-butoxy-5-chloro-4-fluorophenyl)boronic acid |
| InChI | InChI=1S/C10H13BClFO3/c1-2-3-4-16-9-6-7(11(14)15)5-8(12)10(9)13/h5-6,14-15H,2-4H2,1H3 |
| InChI Key | TZLYOQGVGVBSFI-UHFFFAOYSA-N |
| MDL Number | MFCD20441837 |
| Molecular Formula | C10H13BClFO3 |
| Molecular Weight | 246.4708 |
| SMILES | CCCCOc1cc(cc(c1F)Cl)B(O)O |
| Synonyms | 3-Butoxy-5-chloro-4-fluorophenylboronic acid,
2096332-32-8,
(3-butoxy-5-chloro-4-fluorophenyl)boronic acid,
MFCD20441837,
ZINC169955534,
Y2501,
B-9658,
C10H13BClFO3,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.469g/mol |
| Monoisotopic Mass | 246.063g/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