| CAS Number | 2096334-00-6 |
| Catalog Number | AG01EHO8 |
| Chemical Name | 4-Bromo-2-fluoro-5-methylphenylboronic acid, pinacol ester |
| IUPAC Name | 2-(4-bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BBrFO2/c1-8-6-9(11(16)7-10(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3 |
| InChI Key | KCPRDDSQYLXYGE-UHFFFAOYSA-N |
| MDL Number | MFCD20441907 |
| Molecular Formula | C13H17BBrFO2 |
| Molecular Weight | 314.9863 |
| SMILES | CC1=C(Br)C=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 4-Bromo-2-fluoro-5-methylphenylboronic acid, pinacol ester,
2096334-00-6,
2-(4-Bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD20441907,
AKOS027370595,
ZINC169955974,
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 | 314.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.989g/mol |
| Monoisotopic Mass | 314.049g/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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