| CAS Number | 1217500-92-9 |
| Catalog Number | AG0015RV(AGN-PC-07XUHM) |
| Chemical Name | 4-(Isopentylsulfinyl)phenylboronic acid |
| IUPAC Name | [4-(3-methylbutylsulfinyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H17BO3S/c1-9(2)7-8-16(15)11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3 |
| InChI Key | LBXKJWZOEWXOJZ-UHFFFAOYSA-N |
| MDL Number | MFCD12546539 |
| Molecular Formula | C11H17BO3S |
| Molecular Weight | 240.1269 |
| SMILES | OB(c1ccc(cc1)S(=O)CCC(C)C)O |
| Synonyms | 1217500-92-9,
(4-(Isopentylsulfinyl)phenyl)boronic acid,
4-(ISOPENTYLSULFINYL)PHENYLBORONIC ACID,
CTK4B2663,
DTXSID60675218,
ANW-17810,
MFCD12546539,
AKOS015839583,
AX8236062,
TR-034683,
X1668,
K-1628,
[4-(3-Methylbutane-1-sulfinyl)phenyl]boronic acid,
C11H17BO3S,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.124g/mol |
| Monoisotopic Mass | 240.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number