| CAS Number | 2096338-35-9 |
| Catalog Number | AG01EHOP |
| Chemical Name | 4-Butoxy-3-chloro-5-fluorophenylboronic acid |
| IUPAC Name | (4-butoxy-3-chloro-5-fluorophenyl)boronic acid |
| InChI | InChI=1S/C10H13BClFO3/c1-2-3-4-16-10-8(12)5-7(11(14)15)6-9(10)13/h5-6,14-15H,2-4H2,1H3 |
| InChI Key | WWRLALPWGKYOSD-UHFFFAOYSA-N |
| MDL Number | MFCD20441805 |
| Molecular Formula | C10H13BClFO3 |
| Molecular Weight | 246.4708 |
| SMILES | CCCCOc1c(F)cc(cc1Cl)B(O)O |
| Synonyms | 4-Butoxy-3-chloro-5-fluorophenylboronic acid,
2096338-35-9,
(4-butoxy-3-chloro-5-fluorophenyl)boronic acid,
MFCD20441805,
AKOS027354183,
ZINC169955339,
Y2717,
B-9300,
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