| CAS Number | 2096341-94-3 |
| Catalog Number | AG01EHOF |
| Chemical Name | 4-Bromo-3-methyl-5-(methoxycarbonyl)phenylboronic acid, pinacol ester |
| IUPAC Name | methyl 2-bromo-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BBrO4/c1-9-7-10(8-11(12(9)17)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3 |
| InChI Key | VMAKRZVUMPUYLB-UHFFFAOYSA-N |
| MDL Number | MFCD19237219 |
| Molecular Formula | C15H20BBrO4 |
| Molecular Weight | 355.0319 |
| SMILES | O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C)=C1Br |
| Synonyms | 4-Bromo-3-methyl-5-(methoxycarbonyl)phenylboronic acid, pinacol ester,
2096341-94-3,
methyl 2-bromo-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD19237219,
AKOS027359771,
ZINC169951922,
A-2908,
A-4721,
N/A,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.035g/mol |
| Monoisotopic Mass | 354.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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