| CAS Number | 1704080-61-4 |
| Catalog Number | AG019EZY(AGN-PC-0WCS9K) |
| Chemical Name | (2-Methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid |
| IUPAC Name | [2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C12H19BN2O5S/c1-14-5-7-15(8-6-14)21(18,19)10-3-4-12(20-2)11(9-10)13(16)17/h3-4,9,16-17H,5-8H2,1-2H3 |
| InChI Key | BWDVJISMKUOJSU-UHFFFAOYSA-N |
| MDL Number | MFCD28400411 |
| Molecular Formula | C12H19BN2O5S |
| Molecular Weight | 314.1657 |
| SMILES | O=S(C1=CC=C(OC)C(B(O)O)=C1)(N2CCN(C)CC2)=O |
| Synonyms | (2-methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid,
1704080-61-4,
MFCD28400411,
ZINC230547984,
AM88399,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.163g/mol |
| Monoisotopic Mass | 314.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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