| CAS Number | 779331-13-4 |
| Catalog Number | AG00J2X4(AGN-PC-0UCN2F) |
| Chemical Name | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol |
| InChI | InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-8(13(15,16)17)5-6-10(9)18/h5-7,18H,1-4H3 |
| InChI Key | BOSFAXKLICWRSZ-UHFFFAOYSA-N |
| MDL Number | MFCD16994239 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.0705 |
| SMILES | B1(OC(C(C)(C)O1)(C)C)C1C(O)=CC=C(C=1)C(F)(F)F |
| Synonyms | 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL)PHENOL,
779331-13-4,
SCHEMBL1949840,
BOSFAXKLICWRSZ-UHFFFAOYSA-N,
ZX-CM010815,
MFCD16994239,
AKOS027390959,
ZINC169993778,
FCH2775004,
MB15180,
A-6849,
Z-2609,
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol,
|
| Complexity | 354 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.073g/mol |
| Monoisotopic Mass | 288.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number