| CAS Number | 928830-73-3 |
| Catalog Number | AG003D1J(AGN-PC-00UUIG) |
| Chemical Name | 1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H13FN4O4/c1-13-2-4-14(5-3-13)10-6-8(12)9(15(17)18)7-11(10)16(19)20/h6-7H,2-5H2,1H3 |
| InChI Key | SSBAFRIGYXRBRK-UHFFFAOYSA-N |
| MDL Number | MFCD10000959 |
| Molecular Formula | C11H13FN4O4 |
| Molecular Weight | 284.2437 |
| SMILES | CN1CCN(CC1)c2cc(F)c(cc2[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine,
928830-73-3,
Piperazine, 1-(5-fluoro-2,4-dinitrophenyl)-4-methyl-,
ACMC-209ri8,
SCHEMBL15800716,
CTK5H1833,
DTXSID60585323,
ANW-39918,
MFCD10000959,
ZINC60326448,
AKOS028109885,
TR-029096,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.247g/mol |
| Monoisotopic Mass | 284.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number