| CAS Number | 2096331-64-3 |
| Catalog Number | AG01EHGY |
| Chemical Name | 2-Isobutoxy-4-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-(2-methylpropoxy)-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H14BF3O3/c1-7(2)6-18-10-5-8(11(13,14)15)3-4-9(10)12(16)17/h3-5,7,16-17H,6H2,1-2H3 |
| InChI Key | HNSBTOIZQFKAHB-UHFFFAOYSA-N |
| MDL Number | MFCD21609513 |
| Molecular Formula | C11H14BF3O3 |
| Molecular Weight | 262.0333 |
| SMILES | OB(C1=CC=C(C(F)(F)F)C=C1OCC(C)C)O |
| Synonyms | 2-Isobutoxy-4-(trifluoromethyl)phenylboronic acid,
2096331-64-3,
(2-Isobutoxy-4-(trifluoromethyl)phenyl)boronic acid,
MFCD21609513,
ZINC169964662,
Y2363,
B-9419,
C11H14BF3O3,
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| Complexity | 258 |
| 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 | 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