| CAS Number | 1350989-48-8 |
| Catalog Number | AG00J2XH(AGN-PC-0WB66K) |
| Chemical Name | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C13H16BF3O4/c1-11(2)12(3,4)21-14(20-11)8-5-6-9(18)10(7-8)19-13(15,16)17/h5-7,18H,1-4H3 |
| InChI Key | KFEICRNRUSAILQ-UHFFFAOYSA-N |
| MDL Number | MFCD18756764 |
| Molecular Formula | C13H16BF3O4 |
| Molecular Weight | 304.0699 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)OC(F)(F)F |
| Synonyms | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol,
1350989-48-8,
SCHEMBL15191141,
KFEICRNRUSAILQ-UHFFFAOYSA-N,
ZX-CM010843,
MFCD18756764,
AKOS027390960,
ZINC169993784,
A-6814,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.072g/mol |
| Monoisotopic Mass | 304.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number