| CAS Number | 1701449-15-1 |
| Catalog Number | AG00HZDG(AGN-PC-0WOBN5) |
| Chemical Name | 3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C11H16BClO4/c1-4-16-10-6-8(12(14)15)5-9(13)11(10)17-7(2)3/h5-7,14-15H,4H2,1-3H3 |
| InChI Key | KTZJZSPROBKOSX-UHFFFAOYSA-N |
| MDL Number | MFCD20529442 |
| Molecular Formula | C11H16BClO4 |
| Molecular Weight | 258.5063 |
| SMILES | CCOc1cc(cc(c1OC(C)C)Cl)B(O)O |
| Synonyms | 3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid,
1701449-15-1,
(3-Chloro-5-ethoxy-4-isopropoxyphenyl)boronic acid,
MFCD20529442,
ZINC169955425,
Y2551,
B-9554,
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
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