| CAS Number | 2096339-30-7 |
| Catalog Number | AG01EHJO |
| Chemical Name | 3-Chloro-5-(cyclopentyloxy)-4-fluorophenylboronic acid |
| IUPAC Name | (3-chloro-5-cyclopentyloxy-4-fluorophenyl)boronic acid |
| InChI | InChI=1S/C11H13BClFO3/c13-9-5-7(12(15)16)6-10(11(9)14)17-8-3-1-2-4-8/h5-6,8,15-16H,1-4H2 |
| InChI Key | YQYXVSZOUNDBPW-UHFFFAOYSA-N |
| MDL Number | MFCD20441823 |
| Molecular Formula | C11H13BClFO3 |
| Molecular Weight | 258.4815 |
| SMILES | Clc1cc(cc(c1F)OC1CCCC1)B(O)O |
| Synonyms | 3-Chloro-5-(cyclopentyloxy)-4-fluorophenylboronic acid,
2096339-30-7,
(3-Chloro-5-(cyclopentyloxy)-4-fluorophenyl)boronic acid,
MFCD20441823,
ZINC169955396,
Y2548,
B-9709,
C11H13BClFO3,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.48g/mol |
| Monoisotopic Mass | 258.063g/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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