| CAS Number | 2121514-02-9 |
| Catalog Number | AG01FR1M(AGN-PC-3H5PEA) |
| Chemical Name | 2-Chloro-4,5-difluorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-(2-chloro-4,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)7-5-9(15)10(16)6-8(7)14/h5-6H,1-4H3 |
| InChI Key | JMRMQKLNWZBIEO-UHFFFAOYSA-N |
| MDL Number | MFCD28806036 |
| Molecular Formula | C12H14BClF2O2 |
| Molecular Weight | 274.4992 |
| SMILES | c1(c(cc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl)F)F |
| Synonyms | 2-Chloro-4,5-difluorophenylboronic acid pinacol ester,
2-(2-chloro-4,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2121514-02-9,
2-Chloro-4,5-difluorophenylboronic acid, pinacol ester,
N/A,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.074344g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.5g/mol |
| Monoisotopic Mass | 274.074344g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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