| CAS Number | 1026796-82-6 |
| Catalog Number | AG01B8JW |
| Chemical Name | 2-{4-[(difluoromethyl)sulfanyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[4-(difluoromethylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BF2O2S/c1-12(2)13(3,4)18-14(17-12)9-5-7-10(8-6-9)19-11(15)16/h5-8,11H,1-4H3 |
| InChI Key | QSALDQKWDOUGAF-UHFFFAOYSA-N |
| MDL Number | MFCD22718112 |
| Molecular Formula | C13H17BF2O2S |
| Molecular Weight | 286.1457 |
| SMILES | CC1(C(C)(C)OB(C2=CC=C(SC(F)F)C=C2)O1)C |
| Synonyms | 2-{4-[(difluoromethyl)sulfanyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
1026796-82-6,
AKOS018218527,
ZINC211229812,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.144g/mol |
| Monoisotopic Mass | 286.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number