| CAS Number | 2096341-75-0 |
| Catalog Number | AG01EHC5 |
| Chemical Name | 4-Bromo-3-chloro-5-methylphenylboronic acid pinacol ester |
| IUPAC Name | 2-(4-bromo-3-chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BBrClO2/c1-8-6-9(7-10(16)11(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3 |
| InChI Key | HUASZRKTJXQGTB-UHFFFAOYSA-N |
| MDL Number | MFCD19684128 |
| Molecular Formula | C13H17BBrClO2 |
| Molecular Weight | 331.4409 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)Br)C |
| Synonyms | 4-Bromo-3-chloro-5-methylphenylboronic acid pinacol ester,
2096341-75-0,
2-(4-bromo-3-chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD19684128,
ZINC169955873,
A-2703,
N/A,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.441g/mol |
| Monoisotopic Mass | 330.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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