| CAS Number | 2096339-78-3 |
| Catalog Number | AG01EHMO |
| Chemical Name | 3-(Cyclohexylthio)phenylboronic acid |
| IUPAC Name | (3-cyclohexylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C12H17BO2S/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11,14-15H,1-3,6-7H2 |
| InChI Key | BHRQRSBOMCAGNE-UHFFFAOYSA-N |
| MDL Number | MFCD18914505 |
| Molecular Formula | C12H17BO2S |
| Molecular Weight | 236.1382 |
| SMILES | C1(CCCCC1)SC=1C=C(C=CC1)B(O)O |
| Synonyms | 3-(Cyclohexylthio)phenylboronic acid,
2096339-78-3,
(3-(Cyclohexylthio)phenyl)boronic acid,
MFCD18914505,
ZINC169951642,
Y2402,
A-3021,
C12H17BO2S,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.136g/mol |
| Monoisotopic Mass | 236.104g/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