| CAS Number | 864759-56-8 |
| Catalog Number | AG00GUVD(AGN-PC-01NOZH) |
| Chemical Name | 1-(2-bromobenzenesulfonyl)piperazine hydrochloride |
| IUPAC Name | 1-(2-bromophenyl)sulfonylpiperazine;hydrochloride |
| InChI | InChI=1S/C10H13BrN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H |
| InChI Key | UETXYKQXOZWIKZ-UHFFFAOYSA-N |
| MDL Number | MFCD08064298 |
| Molecular Formula | C10H14BrClN2O2S |
| Molecular Weight | 341.6524 |
| SMILES | Cl.BrC1=C(S(N2CCNCC2)(=O)=O)C=CC=C1 |
| Synonyms | 864759-56-8,
1-((2-Bromophenyl)sulfonyl)piperazine hydrochloride,
4-(2-Bromo-benzenesulfonyl)-piperazine hydrochloride,
DTXSID60592214,
ACT06389,
MFCD08064298,
AKOS015897653,
FT-0655746,
1-(2-bromophenyl)sulfonylpiperazine hydrochloride,
4-(2-Bromophenylsulfonyl)piperazine hydrochloride,
1-(2-bromobenzenesulfonyl)piperazine hydrochloride,
A841668,
I09-0757,
1-(2-Bromobenzene-1-sulfonyl)piperazine--hydrogen chloride (1/1),
4- -PIPERAZINEHYDROCHLORIDE,
1-((2-Bromophenyl)sulfonyl)piperazinehydrochloride,
4-(2-Bromo- benzenesulfonyl)- piperazine hydrochloride,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.648g/mol |
| Monoisotopic Mass | 339.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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