| CAS Number | 2096333-26-3 |
| Catalog Number | AG01EHME |
| Chemical Name | 2-Cyclopentyloxy-4-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-cyclopentyloxy-4-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H14BF3O3/c14-12(15,16)8-5-6-10(13(17)18)11(7-8)19-9-3-1-2-4-9/h5-7,9,17-18H,1-4H2 |
| InChI Key | ROLIANNTBQTQDQ-UHFFFAOYSA-N |
| MDL Number | MFCD21609517 |
| Molecular Formula | C12H14BF3O3 |
| Molecular Weight | 274.0440 |
| SMILES | OB(c1ccc(cc1OC1CCCC1)C(F)(F)F)O |
| Synonyms | 2-Cyclopentyloxy-4-(trifluoromethyl)phenylboronic acid,
2096333-26-3,
(2-(Cyclopentyloxy)-4-(trifluoromethyl)phenyl)boronic acid,
C12H14BF3O3,
MFCD21609517,
ZINC169964684,
Y2319,
B-9444,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.046g/mol |
| Monoisotopic Mass | 274.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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