| CAS Number | 2096333-63-8 |
| Catalog Number | AG01EH8X |
| Chemical Name | 3-Propoxy-4-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-propoxy-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C10H12BF3O4/c1-2-5-17-9-6-7(11(15)16)3-4-8(9)18-10(12,13)14/h3-4,6,15-16H,2,5H2,1H3 |
| InChI Key | PRZBWPNYGNZDDJ-UHFFFAOYSA-N |
| MDL Number | MFCD21332934 |
| Molecular Formula | C10H12BF3O4 |
| Molecular Weight | 264.0061 |
| SMILES | CCCOc1cc(ccc1OC(F)(F)F)B(O)O |
| Synonyms | 3-Propoxy-4-(trifluoromethoxy)phenylboronic acid,
2096333-63-8,
MFCD21332934,
ZINC169964691,
Y2604,
B-9647,
C10H12BF3O4,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.007g/mol |
| Monoisotopic Mass | 264.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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