| CAS Number | 2096336-82-0 |
| Catalog Number | AG01EHNJ |
| Chemical Name | 3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-ethoxy-5-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C11H16BClO4/c1-4-16-11-9(13)5-8(12(14)15)6-10(11)17-7(2)3/h5-7,14-15H,4H2,1-3H3 |
| InChI Key | VYXJMDFAZNTZEA-UHFFFAOYSA-N |
| MDL Number | MFCD21332923 |
| Molecular Formula | C11H16BClO4 |
| Molecular Weight | 258.5063 |
| SMILES | CCOc1c(OC(C)C)cc(cc1Cl)B(O)O |
| Synonyms | 3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid,
2096336-82-0,
(3-Chloro-4-ethoxy-5-isopropoxyphenyl)boronic acid,
MFCD21332923,
ZINC169964630,
Y2534,
B-9439,
C11H16BClO4,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.505g/mol |
| Monoisotopic Mass | 258.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number