| CAS Number | 2096335-91-8 |
| Catalog Number | AG01EHBS |
| Chemical Name | 2-(Bromomethyl)-3-chlorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)-3-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BBrClO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(16)9(10)8-15/h5-7H,8H2,1-4H3 |
| InChI Key | HHFMETIHUMNDBF-UHFFFAOYSA-N |
| MDL Number | MFCD20529520 |
| Molecular Formula | C13H17BBrClO2 |
| Molecular Weight | 331.4409 |
| SMILES | ClC1=C(CBr)C(B2OC(C)(C)C(C)(C)O2)=CC=C1 |
| Synonyms | 2-(Bromomethyl)-3-chlorophenylboronic acid, pinacol ester,
2-Bromomethyl-3-chlorophenylboronic acid, pinacol ester,
2096335-91-8,
2-(2-(Bromomethyl)-3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD20529520,
AKOS027347661,
ZINC169956088,
B-9231,
2096332-57-7,
N/A,
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| Complexity | 295 |
| 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 | 2 |
| 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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