| CAS Number | 1698908-91-6 |
| Catalog Number | AG01C07Q |
| Chemical Name | 2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H16BF3O2/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7,11H,1-4H3 |
| InChI Key | IOIJPWRPJQTXOS-UHFFFAOYSA-N |
| MDL Number | MFCD18730117 |
| Molecular Formula | C13H16BF3O2 |
| Molecular Weight | 272.0711 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC(C(F)F)=C2F)O1 |
| Synonyms | 2-[3-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
1698908-91-6,
2-(3-(difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
IOIJPWRPJQTXOS-UHFFFAOYSA-N,
ZINC306518996,
2-[3-(difluoromethyl)-2-fluoro-phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.074g/mol |
| Monoisotopic Mass | 272.12g/mol |
| Rotatable Bond Count | 2 |
| 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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