| CAS Number | 2096331-93-8 |
| Catalog Number | AG01EHIO |
| Chemical Name | 4-(Cyclopentyloxy)-3,5-difluorophenylboronic acid |
| IUPAC Name | (4-cyclopentyloxy-3,5-difluorophenyl)boronic acid |
| InChI | InChI=1S/C11H13BF2O3/c13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8/h5-6,8,15-16H,1-4H2 |
| InChI Key | PAJFMJQOJXZCLX-UHFFFAOYSA-N |
| MDL Number | MFCD21332919 |
| Molecular Formula | C11H13BF2O3 |
| Molecular Weight | 242.0269 |
| SMILES | Fc1cc(cc(c1OC1CCCC1)F)B(O)O |
| Synonyms | 4-(Cyclopentyloxy)-3,5-difluorophenylboronic acid,
2096331-93-8,
(4-(Cyclopentyloxy)-3,5-difluorophenyl)boronic acid,
MFCD21332919,
ZINC169964613,
Y2640,
B-9437,
C11H13BF2O3,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.029g/mol |
| Monoisotopic Mass | 242.093g/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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