| CAS Number | 1415960-55-2 |
| Catalog Number | AG01EKYD |
| Chemical Name | methyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
| IUPAC Name | methyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
| InChI | InChI=1S/C15H19BF2O4/c1-13(2)14(3,4)22-16(21-13)11-8-6-10(7-9-11)15(17,18)12(19)20-5/h6-9H,1-5H3 |
| InChI Key | KNJUYOCPBWDNPQ-UHFFFAOYSA-N |
| MDL Number | MFCD31690835 |
| Molecular Formula | C15H19BF2O4 |
| Molecular Weight | 312.1168 |
| SMILES | COC(C(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)(F)F)=O |
| Synonyms | ZINC584644618,
methyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate,
1415960-55-2,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.12g/mol |
| Monoisotopic Mass | 312.134g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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