| CAS Number | 2096339-74-9 |
| Catalog Number | AG01EHBP |
| Chemical Name | 4-Butoxy-2,3-dichlorophenylboronic acid |
| IUPAC Name | (4-butoxy-2,3-dichlorophenyl)boronic acid |
| InChI | InChI=1S/C10H13BCl2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h4-5,14-15H,2-3,6H2,1H3 |
| InChI Key | JXEAGLCIPVWOBY-UHFFFAOYSA-N |
| MDL Number | MFCD21609526 |
| Molecular Formula | C10H13BCl2O3 |
| Molecular Weight | 262.9254 |
| SMILES | OB(C1=CC=C(OCCCC)C(Cl)=C1Cl)O |
| Synonyms | 4-Butoxy-2,3-dichlorophenylboronic acid,
2096339-74-9,
(4-Butoxy-2,3-dichlorophenyl)boronic acid,
MFCD21609526,
ZINC169964741,
Y2713,
B-9557,
C10H13BCl2O3,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.921g/mol |
| Monoisotopic Mass | 262.033g/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