| CAS Number | 2096336-06-8 |
| Catalog Number | AG01EHMB |
| Chemical Name | 2-(Cyclopropylmethoxy)-4-trifluoromethylphenylboronic acid |
| IUPAC Name | [2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H12BF3O3/c13-11(14,15)8-3-4-9(12(16)17)10(5-8)18-6-7-1-2-7/h3-5,7,16-17H,1-2,6H2 |
| InChI Key | KWSCZAFUDFPWNK-UHFFFAOYSA-N |
| MDL Number | MFCD18087694 |
| Molecular Formula | C11H12BF3O3 |
| Molecular Weight | 260.0174 |
| SMILES | OB(c1ccc(cc1OCC1CC1)C(F)(F)F)O |
| Synonyms | 2-(CYCLOPROPYLMETHOXY)-4-TRIFLUOROMETHYLPHENYLBORONIC ACID,
2096336-06-8,
(2-(Cyclopropylmethoxy)-4-(trifluoromethyl)phenyl)boronic acid,
C11H12BF3O3,
MFCD18087694,
ZINC169934715,
Y2168,
B-9756,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.019g/mol |
| Monoisotopic Mass | 260.083g/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