| CAS Number | 2096337-29-8 |
| Catalog Number | AG01EHC4 |
| Chemical Name | 5-(2-Bromoethoxy)-2,4-dichlorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-[5-(2-bromoethoxy)-2,4-dichlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H18BBrCl2O3/c1-13(2)14(3,4)21-15(20-13)9-7-12(19-6-5-16)11(18)8-10(9)17/h7-8H,5-6H2,1-4H3 |
| InChI Key | OCTASHZGJVAHBC-UHFFFAOYSA-N |
| MDL Number | MFCD18087745 |
| Molecular Formula | C14H18BBrCl2O3 |
| Molecular Weight | 395.9119 |
| SMILES | BrCCOc1cc(c(cc1Cl)Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 5-(2-Bromoethoxy)-2,4-dichlorophenylboronic acid, pinacol ester,
2096337-29-8,
2-(5-(2-Bromoethoxy)-2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18087745,
AKOS027359852,
ZINC169936569,
A-4632,
N/A,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.909g/mol |
| Monoisotopic Mass | 393.991g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number