| CAS Number | 1217501-01-3 |
| Catalog Number | AG0015RN(AGN-PC-07XUHV) |
| Chemical Name | Boronic acid, B-[4-(butylsulfinyl)phenyl]- |
| IUPAC Name | (4-butylsulfinylphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO3S/c1-2-3-8-15(14)10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3 |
| InChI Key | DDWMUGQRYZIHOL-UHFFFAOYSA-N |
| MDL Number | MFCD12546548 |
| Molecular Formula | C10H15BO3S |
| Molecular Weight | 226.1003 |
| SMILES | C(CCC)S(=O)C1=CC=C(C=C1)B(O)O |
| Synonyms | 1217501-01-3,
(4-(Butylsulfinyl)phenyl)boronic acid,
4-(BUTYLSULFINYL)PHENYLBORONIC ACID,
CTK4B2671,
DTXSID50675227,
ANW-17818,
MFCD12546548,
AKOS015839681,
OR360503,
[4-(Butane-1-sulfinyl)phenyl]boronic acid,
AX8236065,
TR-034691,
Boronic acid, B-[4-(butylsulfinyl)phenyl]-,
X1673,
K-1630,
C10H15BO3S,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.097g/mol |
| Monoisotopic Mass | 226.083g/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