| CAS Number | 1043554-68-2 |
| Catalog Number | AG008TPV(AGN-PC-0WCNIR) |
| Chemical Name | 4-(Piperazin-1-ylsulfonyl)benzoic acid hydrochloride |
| IUPAC Name | 4-piperazin-1-ylsulfonylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C11H14N2O4S.ClH/c14-11(15)9-1-3-10(4-2-9)18(16,17)13-7-5-12-6-8-13;/h1-4,12H,5-8H2,(H,14,15);1H |
| InChI Key | CKGUTIJGGJTLRW-UHFFFAOYSA-N |
| MDL Number | MFCD07687254 |
| Molecular Formula | C11H15ClN2O4S |
| Molecular Weight | 306.7658 |
| SMILES | Cl.OC(C1=CC=C(S(N2CCNCC2)(=O)=O)C=C1)=O |
| Synonyms | 4-(piperazin-1-ylsulfonyl)benzoic acid hydrochloride,
1043554-68-2,
4-(piperazine-1-sulfonyl)benzoic acid hydrochloride,
AC1Q3EXP,
CTK7I8125,
AKOS026676867,
MCULE-3890985961,
EN300-21806,
L-2550,
J-513820,
F1981-0075,
Z126932476,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.761g/mol |
| Monoisotopic Mass | 306.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number