| CAS Number | 2096339-68-1 |
| Catalog Number | AG01EHHF |
| Chemical Name | 3-Butoxy-4-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-butoxy-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C11H14BF3O4/c1-2-3-6-18-10-7-8(12(16)17)4-5-9(10)19-11(13,14)15/h4-5,7,16-17H,2-3,6H2,1H3 |
| InChI Key | ZIZRMMLWHBEACN-UHFFFAOYSA-N |
| MDL Number | MFCD21332935 |
| Molecular Formula | C11H14BF3O4 |
| Molecular Weight | 278.0327 |
| SMILES | CCCCOc1cc(ccc1OC(F)(F)F)B(O)O |
| Synonyms | 3-Butoxy-4-(trifluoromethoxy)phenylboronic acid,
2096339-68-1,
(3-Butoxy-4-(trifluoromethoxy)phenyl)boronic acid,
MFCD21332935,
ZINC169964694,
Y2498,
B-9740,
C11H14BF3O4,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.034g/mol |
| Monoisotopic Mass | 278.094g/mol |
| Rotatable Bond Count | 6 |
| 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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