| CAS Number | 1030832-48-4 |
| Catalog Number | AG00H9YI(AGN-PC-0WP1N1) |
| Chemical Name | 2-(Bromomethyl)-3,4-dichlorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)-3,4-dichlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H16BBrCl2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(16)11(17)8(9)7-15/h5-6H,7H2,1-4H3 |
| InChI Key | HGXSMRKWQCQULT-UHFFFAOYSA-N |
| MDL Number | MFCD22493600 |
| Molecular Formula | C13H16BBrCl2O2 |
| Molecular Weight | 365.8859 |
| SMILES | BrCc1c(ccc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1030832-48-4,
2-(2-(Bromomethyl)-3,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2-(Bromomethyl)-3,4-dichlorophenylboronic acid, pinacol ester,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.883g/mol |
| Monoisotopic Mass | 363.98g/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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