| CAS Number | 1704066-99-8 |
| Catalog Number | AG00AR9Y(AGN-PC-0WCRMS) |
| Chemical Name | (3,5-dimethyl-4-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid |
| IUPAC Name | (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylphenyl)boronic acid |
| InChI | InChI=1S/C12H18BNO4S/c1-9-7-11(13(15)16)8-10(2)12(9)19(17,18)14-5-3-4-6-14/h7-8,15-16H,3-6H2,1-2H3 |
| InChI Key | HCBGRLKZHUJREJ-UHFFFAOYSA-N |
| MDL Number | MFCD28384278 |
| Molecular Formula | C12H18BNO4S |
| Molecular Weight | 283.1516 |
| SMILES | S(=O)(=O)(c1c(C)cc(cc1C)B(O)O)N1CCCC1 |
| Synonyms | (3,5-dimethyl-4-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid,
1704066-99-8,
MFCD28384278,
ZINC230537111,
AM88306,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.149g/mol |
| Monoisotopic Mass | 283.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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