| CAS Number | 2096335-27-0 |
| Catalog Number | AG01EHNA |
| Chemical Name | 3-Chloro-4-ethoxy-5-propoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-ethoxy-5-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C11H16BClO4/c1-3-5-17-10-7-8(12(14)15)6-9(13)11(10)16-4-2/h6-7,14-15H,3-5H2,1-2H3 |
| InChI Key | LVRMTRMYJJKPHK-UHFFFAOYSA-N |
| MDL Number | MFCD21332924 |
| Molecular Formula | C11H16BClO4 |
| Molecular Weight | 258.5063 |
| SMILES | CCCOc1cc(cc(c1OCC)Cl)B(O)O |
| Synonyms | 3-Chloro-4-ethoxy-5-propoxyphenylboronic acid,
2096335-27-0,
(3-Chloro-4-ethoxy-5-propoxyphenyl)boronic acid,
ZINC169964633,
Y2536,
B-9440,
C11H16BClO4,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.083017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.51g/mol |
| Monoisotopic Mass | 258.083017g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number