| CAS Number | 1449132-58-4 |
| Catalog Number | AG01FSHD(AGN-PC-3H605P) |
| Chemical Name | (3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)boronic acid |
| IUPAC Name | [3-(3-methylpiperidin-1-yl)sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO4S/c1-10-4-3-7-14(9-10)19(17,18)12-6-2-5-11(8-12)13(15)16/h2,5-6,8,10,15-16H,3-4,7,9H2,1H3 |
| InChI Key | DLRNDOINJINCLN-UHFFFAOYSA-N |
| MDL Number | MFCD20265273 |
| Molecular Formula | C12H18BNO4S |
| Molecular Weight | 283.1516 |
| SMILES | OB(O)C1=CC(S(N2CCCC(C)C2)(=O)=O)=CC=C1 |
| Synonyms | 1449132-58-4,
3-[(3-Methyl-1-piperidinyl)sulfonyl]benzeneboronic acid,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.104959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.16g/mol |
| Monoisotopic Mass | 283.104959g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number