| CAS Number | 2096339-59-0 |
| Catalog Number | AG01EH5A |
| Chemical Name | 3-Propoxy-4-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [3-propoxy-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H12BF3O3/c1-2-5-17-9-6-7(11(15)16)3-4-8(9)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3 |
| InChI Key | ZBNIPOKQNJULTM-UHFFFAOYSA-N |
| MDL Number | MFCD21609516 |
| Molecular Formula | C10H12BF3O3 |
| Molecular Weight | 248.0067 |
| SMILES | CCCOc1cc(ccc1C(F)(F)F)B(O)O |
| Synonyms | 3-Propoxy-4-(trifluoromethyl)phenylboronic acid,
2096339-59-0,
MFCD21609516,
ZINC169964671,
Y2605,
B-9305,
C10H12BF3O3,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.008g/mol |
| Monoisotopic Mass | 248.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number