| CAS Number | 486422-11-1 |
| Catalog Number | AG00I8SP(AGN-PC-0N481Z) |
| Chemical Name | 4-(4-Methyl-piperazinesulfonyl)phenyl boronic acid |
| IUPAC Name | [4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C11H17BN2O4S/c1-13-6-8-14(9-7-13)19(17,18)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3 |
| InChI Key | WTIRVOVQNGLJIQ-UHFFFAOYSA-N |
| MDL Number | MFCD12031677 |
| Molecular Formula | C11H17BN2O4S |
| Molecular Weight | 284.1397 |
| SMILES | CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)B(O)O |
| Synonyms | 486422-11-1,
4-(4-METHYL-PIPERAZINESULFONYL)PHENYL BORONIC ACID,
4-[(4-Methylpiperazin-1-yl)sulfonyl]phenylboronic acid,
(4-((4-Methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid,
SCHEMBL477530,
C11H17BN2O4S,
WTIRVOVQNGLJIQ-UHFFFAOYSA-N,
MFCD12031677,
ZINC170002735,
CS-0059918,
Y2632,
K-9187,
4-[(4-methyl-1-piperazinyl)sulfonyl]phenylboronic acid,
Boronic acid, [4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-,
CID10423982,
[4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic Acid,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.137g/mol |
| Monoisotopic Mass | 284.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number