| CAS Number | 1803586-99-3 |
| Catalog Number | AG019L6K |
| Chemical Name | 2-(Piperazine-1-sulfonyl)benzonitrile hydrochloride |
| IUPAC Name | 2-piperazin-1-ylsulfonylbenzonitrile;hydrochloride |
| InChI | InChI=1S/C11H13N3O2S.ClH/c12-9-10-3-1-2-4-11(10)17(15,16)14-7-5-13-6-8-14;/h1-4,13H,5-8H2;1H |
| InChI Key | AOVZTABTIPEZTE-UHFFFAOYSA-N |
| MDL Number | MFCD28145648 |
| Molecular Formula | C11H14ClN3O2S |
| Molecular Weight | 287.7658 |
| SMILES | Cl.O=S(C1=C(C#N)C=CC=C1)(N1CCNCC1)=O |
| Synonyms | 2-(piperazine-1-sulfonyl)benzonitrile hydrochloride,
1803586-99-3,
EN300-30166,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.762g/mol |
| Monoisotopic Mass | 287.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number