| CAS Number | 2096333-45-6 |
| Catalog Number | AG01EHEO |
| Chemical Name | 3-(Cyclopentylthio)phenylboronic acid |
| IUPAC Name | (3-cyclopentylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C11H15BO2S/c13-12(14)9-4-3-7-11(8-9)15-10-5-1-2-6-10/h3-4,7-8,10,13-14H,1-2,5-6H2 |
| InChI Key | YFTSMFMVXAKODL-UHFFFAOYSA-N |
| MDL Number | MFCD18914504 |
| Molecular Formula | C11H15BO2S |
| Molecular Weight | 222.1116 |
| SMILES | OB(c1cccc(c1)SC1CCCC1)O |
| Synonyms | 3-(Cyclopentylthio)phenylboronic acid,
2096333-45-6,
(3-(Cyclopentylthio)phenyl)boronic acid,
MFCD18914504,
ZINC169951639,
Y2405,
A-3022,
C11H15BO2S,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number