| CAS Number | 1032758-01-2 |
| Catalog Number | AG00HA0O(AGN-PC-0WG3SK) |
| Chemical Name | 1-[(3-Fluorophenyl)sulfonyl]piperazine, HCl |
| IUPAC Name | 1-(3-fluorophenyl)sulfonylpiperazine;hydrochloride |
| InChI | InChI=1S/C10H13FN2O2S.ClH/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H |
| InChI Key | ZEHXMWGJPMEVHJ-UHFFFAOYSA-N |
| MDL Number | MFCD10686910 |
| Molecular Formula | C10H14ClFN2O2S |
| Molecular Weight | 280.7468 |
| SMILES | Cl.FC1=CC(S(N2CCNCC2)(=O)=O)=CC=C1 |
| Synonyms | 1-[(3-fluorophenyl)sulfonyl]piperazine hydrochloride,
1032758-01-2,
1-((3-Fluorophenyl)sulfonyl)piperazine hydrochloride,
EN300-36510,
AC1Q3CA5,
SCHEMBL1180727,
CTK7C2114,
ZEHXMWGJPMEVHJ-UHFFFAOYSA-N,
MFCD10686910,
AKOS016881293,
NE60025,
CS-0047548,
1-(3-fluorobenzenesulfonyl)piperazine hydrochloride,
J-000918,
4-(3-fluoro-benzenesulfonyl)-piperazine hydrochloride salt,
1-(3-Fluoro-benzenesulfonyl)-piperazine,
1-[(3-FLUOROPHENYL)SULFONYL]PIPERAZINE HCL,
743441-88-5,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.742g/mol |
| Monoisotopic Mass | 280.045g/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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