| CAS Number | 2096332-53-3 |
| Catalog Number | AG01EHOK |
| Chemical Name | 3-Bromo-5-chloro-4-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-(3-bromo-5-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C12H14BBrClFO2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3 |
| InChI Key | UNTDGSZGFHNFOK-UHFFFAOYSA-N |
| MDL Number | MFCD20441901 |
| Molecular Formula | C12H14BBrClFO2 |
| Molecular Weight | 335.4048 |
| SMILES | Clc1cc(cc(c1F)Br)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Bromo-5-chloro-4-fluorophenylboronic acid, pinacol ester,
2096332-53-3,
2-(3-BROMO-5-CHLORO-4-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE,
KM4102,
MFCD20441901,
ZINC169955893,
N/A,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.404g/mol |
| Monoisotopic Mass | 333.994g/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
Lot Number