| CAS Number | 1628442-55-6 |
| Catalog Number | AG01BFV4 |
| Chemical Name | 2-[4-(DIFLUOROMETHOXY)-2-FLUOROPHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE |
| IUPAC Name | 2-[4-(difluoromethoxy)-2-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(7-10(9)15)18-11(16)17/h5-7,11H,1-4H3 |
| InChI Key | LLJRSXMGPKHUQX-UHFFFAOYSA-N |
| MDL Number | MFCD22419269 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.0705 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(OC(F)F)C=C2F)O1 |
| Synonyms | 1628442-55-6,
MFCD22419269,
2-[4-(difluoromethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
4-Difluoromethoxy-2-fluorophenylboronic acid pinacol ester,
SCHEMBL16036628,
AKOS018218031,
ZINC169747278,
4-Difluoromethoxy-2-fluorobenzeneboronic acid pinacol ester,
2-(4-(Difluoromethoxy)-2-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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number