| CAS Number | 2154421-48-2 |
| Catalog Number | AG01EH67 |
| Chemical Name | 1-[5-Nitro-2-(propylamino)phenyl]ethanone |
| IUPAC Name | 1-[5-nitro-2-(propylamino)phenyl]ethanone |
| InChI | InChI=1S/C11H14N2O3/c1-3-6-12-11-5-4-9(13(15)16)7-10(11)8(2)14/h4-5,7,12H,3,6H2,1-2H3 |
| InChI Key | ZWZJIGAVNOZDHI-UHFFFAOYSA-N |
| MDL Number | MFCD31653775 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CCCNc1ccc(cc1C(=O)C)[N+](=O)[O-] |
| Synonyms | 1-[5-Nitro-2-(propylamino)phenyl]ethanone,
2154421-48-2,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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