| CAS Number | 1449145-16-7 |
| Catalog Number | AG01FTM7(AGN-PC-3H60CG) |
| Chemical Name | (3-((2-methylpiperidin-1-yl)sulfonyl)phenyl)boronic acid |
| IUPAC Name | [3-(2-methylpiperidin-1-yl)sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO4S/c1-10-5-2-3-8-14(10)19(17,18)12-7-4-6-11(9-12)13(15)16/h4,6-7,9-10,15-16H,2-3,5,8H2,1H3 |
| InChI Key | IZHIWXZQLZLQGQ-UHFFFAOYSA-N |
| MDL Number | MFCD20265185 |
| Molecular Formula | C12H18BNO4S |
| Molecular Weight | 283.1516 |
| SMILES | CC1CCCCN1S(C2=CC=CC(B(O)O)=C2)(=O)=O |
| Synonyms | MFCD20265185,
1449145-16-7,
3-[(2-Methyl-1-piperidinyl)sulfonyl]benzeneboronic acid,
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| 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 |
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Certificate of Analysis
Lot Number