| CAS Number | 1197193-08-0 |
| Catalog Number | AG000PJ6(AGN-PC-0BLD4I) |
| Chemical Name | Piperazine, 1-[3-(methylsulfonyl)-4-nitrophenyl]- |
| IUPAC Name | 1-(3-methylsulfonyl-4-nitrophenyl)piperazine |
| InChI | InChI=1S/C11H15N3O4S/c1-19(17,18)11-8-9(2-3-10(11)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3 |
| InChI Key | FHEOTKKERXQVSW-UHFFFAOYSA-N |
| MDL Number | MFCD13191589 |
| Molecular Formula | C11H15N3O4S |
| Molecular Weight | 285.3195 |
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)N1CCNCC1)[N+]([O-])=O |
| Synonyms | N-(3-Methylsulphonyl-4-nitrophenyl)piperazine,
1197193-08-0,
1-(3-(Methylsulfonyl)-4-nitrophenyl)piperazine,
1-[3-(METHYLSULFONYL)-4-NITROPHENYL]PIPERAZINE,
1-(3-methylsulfonyl-4-nitrophenyl)piperazine,
7172AJ,
MFCD13191589,
ZINC42684439,
AKOS022183533,
TRA0068517,
CS-11134,
SY006659,
AJ-104581,
AX8173843,
DB-061612,
TC-308626,
FT-0731009,
MFCD13191589 (95+%),
C11H15N3O4S,
1934-75-4,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.318g/mol |
| Monoisotopic Mass | 285.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number