| CAS Number | 1116229-11-8 |
| Catalog Number | AG008ZTY(AGN-PC-0WD8DN) |
| Chemical Name | 1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone |
| IUPAC Name | 1-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]ethanone |
| InChI | InChI=1S/C13H17N3O4/c1-10(17)14-5-7-15(8-6-14)11-3-4-12(16(18)19)13(9-11)20-2/h3-4,9H,5-8H2,1-2H3 |
| InChI Key | GUTDYFMBYFDQBU-UHFFFAOYSA-N |
| MDL Number | MFCD26400580 |
| Molecular Formula | C13H17N3O4 |
| Molecular Weight | 279.2918 |
| SMILES | CC(N1CCN(C2=CC=C([N+]([O-])=O)C(OC)=C2)CC1)=O |
| Synonyms | 1-(4-(3-methoxy-4-nitrophenyl)piperazin-1-yl)ethanone,
1116229-11-8,
1-acetyl-4-[3-(methyloxy)-4-nitrophenyl]piperazine,
1-(4-(3-methoxy-4-nitrophenyl)piperazin-1-yl)ethan-1-one,
1-[4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl]ethan-1-one,
SCHEMBL2205083,
GUTDYFMBYFDQBU-UHFFFAOYSA-N,
MFCD26400580,
AKOS027253565,
ZINC118292140,
DA-15461,
CS-0055759,
FT-0767365,
Ethanone,1-[4-(3-methoxy-4-nitrophenyl)-1-piperazinyl]-,
938043-30-2,
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| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.296g/mol |
| Monoisotopic Mass | 279.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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