| CAS Number | 2121513-66-2 |
| Catalog Number | AG01EHP5 |
| Chemical Name | 2-Chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| IUPAC Name | 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| InChI | InChI=1S/C12H15BClFO3/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)6-9(7)15/h5-6,16H,1-4H3 |
| InChI Key | DKEUOOKYCJIPOK-UHFFFAOYSA-N |
| MDL Number | MFCD22414581 |
| Molecular Formula | C12H15BClFO3 |
| Molecular Weight | 272.5081 |
| SMILES | B1(OC(C(C)(C)O1)(C)C)C1C(F)=CC(=C(Cl)C=1)O |
| Synonyms | 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,
2121513-66-2,
5-Chloro-2-fluoro-4-hydroxyphenylboronic acid pinacol ester,
MFCD22414581,
ZINC306510740,
5-Chloro-2-fluoro-4-methoxyphenylboronic acid pinacol ester,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.507g/mol |
| Monoisotopic Mass | 272.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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