| CAS Number | 2096335-15-6 |
| Catalog Number | AG01EHFZ |
| Chemical Name | 2-Butoxy-4-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-butoxy-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H14BF3O3/c1-2-3-6-18-10-7-8(11(13,14)15)4-5-9(10)12(16)17/h4-5,7,16-17H,2-3,6H2,1H3 |
| InChI Key | ANPGTROEWQTIHP-UHFFFAOYSA-N |
| MDL Number | MFCD20441799 |
| Molecular Formula | C11H14BF3O3 |
| Molecular Weight | 262.0333 |
| SMILES | CCCCOc1cc(ccc1B(O)O)C(F)(F)F |
| Synonyms | 2-Butoxy-4-(trifluoromethyl)phenylboronic acid,
2096335-15-6,
(2-Butoxy-4-(trifluoromethyl)phenyl)boronic acid,
MFCD20441799,
AKOS027376898,
ZINC169955314,
Y2276,
B-9236,
C11H14BF3O3,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.035g/mol |
| Monoisotopic Mass | 262.099g/mol |
| Rotatable Bond Count | 5 |
| 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