| CAS Number | 1142228-23-6 |
| Catalog Number | AG0095JD(AGN-PC-0WCRPE) |
| Chemical Name | 2-(5-(difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-[5-(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)9-7-8(11(16)17)5-6-10(9)15/h5-7,11H,1-4H3 |
| InChI Key | ZDKQLRJOEGGDGX-UHFFFAOYSA-N |
| MDL Number | MFCD16996280 |
| Molecular Formula | C13H16BF3O2 |
| Molecular Weight | 272.0711 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(C(F)F)=CC=C2F)O1 |
| Synonyms | 2-(5-(DIFLUOROMETHYL)-2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE,
1142228-23-6,
SCHEMBL252452,
ZDKQLRJOEGGDGX-UHFFFAOYSA-N,
MFCD16996280,
ZINC199689071,
AM86330,
FCH2776372,
MB20385,
A1-03388,
2-(5-(difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number