| CAS Number | 2096334-01-7 |
| Catalog Number | AG01EHOD |
| Chemical Name | 3-Butoxy-5-chloro-4-ethoxyphenylboronic acid |
| IUPAC Name | (3-butoxy-5-chloro-4-ethoxyphenyl)boronic acid |
| InChI | InChI=1S/C12H18BClO4/c1-3-5-6-18-11-8-9(13(15)16)7-10(14)12(11)17-4-2/h7-8,15-16H,3-6H2,1-2H3 |
| InChI Key | ZTXOESSTRWYJPQ-UHFFFAOYSA-N |
| MDL Number | MFCD21332925 |
| Molecular Formula | C12H18BClO4 |
| Molecular Weight | 272.5329 |
| SMILES | CCCCOc1cc(cc(c1OCC)Cl)B(O)O |
| Synonyms | 3-Butoxy-5-chloro-4-ethoxyphenylboronic acid,
2096334-01-7,
(3-Butoxy-5-chloro-4-ethoxyphenyl)boronic acid,
MFCD21332925,
ZINC169964637,
Y2500,
C12H18BClO4,
B-9490,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.532g/mol |
| Monoisotopic Mass | 272.099g/mol |
| Rotatable Bond Count | 7 |
| 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