| CAS Number | 928937-04-6 |
| Catalog Number | AG01A0TF |
| Chemical Name | 4-(4-chlorobenzenesulfonyl)piperazine-1-carbaldehyde |
| IUPAC Name | 4-(4-chlorophenyl)sulfonylpiperazine-1-carbaldehyde |
| InChI | InChI=1S/C11H13ClN2O3S/c12-10-1-3-11(4-2-10)18(16,17)14-7-5-13(9-15)6-8-14/h1-4,9H,5-8H2 |
| InChI Key | IRJXXJRNJVPONF-UHFFFAOYSA-N |
| MDL Number | MFCD01185485 |
| Molecular Formula | C11H13ClN2O3S |
| Molecular Weight | 288.7505 |
| SMILES | ClC1=CC=C(S(N2CCN(C=O)CC2)(=O)=O)C=C1 |
| Synonyms | 4-(4-chlorobenzenesulfonyl)piperazine-1-carbaldehyde,
928937-04-6,
AC1N9TIX,
4-(4-chlorophenyl)sulfonylpiperazine-1-carbaldehyde,
ZINC5569982,
SBB079327,
AKOS004106953,
NE60554,
4-[(4-chlorophenyl)sulfonyl]piperazinecarbaldehyde,
4-(4-Chlorophenylsulfonyl)piperazine-1-carbaldehyde,
CID4416119,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.746g/mol |
| Monoisotopic Mass | 288.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number