| CAS Number | 1403988-78-2 |
| Catalog Number | AG01BAEI |
| Chemical Name | 2-(2-(Difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[2-(difluoromethoxy)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)9-6-5-8(15)7-10(9)18-11(16)17/h5-7,11H,1-4H3 |
| InChI Key | AQUNEWWXRQKTHC-UHFFFAOYSA-N |
| MDL Number | MFCD18839196 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.0705 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(F)C=C2OC(F)F)O1 |
| Synonyms | 2-[2-(difluoromethoxy)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
1403988-78-2,
SCHEMBL13727784,
AQUNEWWXRQKTHC-UHFFFAOYSA-N,
AKOS017549589,
ZINC199680675,
2-(2-(Difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.073g/mol |
| Monoisotopic Mass | 288.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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