| CAS Number | 1451391-12-0 |
| Catalog Number | AG00HXDC |
| Chemical Name | 3-Bromo-6-Chloro-2-fluorophenylboronic acid pinacol ester |
| IUPAC Name | 2-(3-bromo-6-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C12H14BBrClFO2/c1-11(2)12(3,4)18-13(17-11)9-8(15)6-5-7(14)10(9)16/h5-6H,1-4H3 |
| InChI Key | KYWBYZAWFOMLMJ-UHFFFAOYSA-N |
| MDL Number | MFCD22056762 |
| Molecular Formula | C12H14BBrClFO2 |
| Molecular Weight | 335.4048 |
| SMILES | c1(ccc(c(c1F)B1OC(C(O1)(C)C)(C)C)Cl)Br |
| Synonyms | 1451391-12-0,
3-Bromo-6-Chloro-2-fluorophenylboronic acid pinacol ester,
2-(3-Bromo-6-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD22056762,
ZINC208395264,
Q-7313,
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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
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