| CAS Number | 1852234-12-8 |
| Catalog Number | AG01EH8P |
| Chemical Name | 1-[2-(Cyclopropylamino)-5-nitrophenyl]ethanone |
| IUPAC Name | 1-[2-(cyclopropylamino)-5-nitrophenyl]ethanone |
| InChI | InChI=1S/C11H12N2O3/c1-7(14)10-6-9(13(15)16)4-5-11(10)12-8-2-3-8/h4-6,8,12H,2-3H2,1H3 |
| InChI Key | MHHSRYGZNLZKSL-UHFFFAOYSA-N |
| MDL Number | MFCD31653774 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CC(=O)c1cc(ccc1NC1CC1)[N+](=O)[O-] |
| Synonyms | 1-[2-(Cyclopropylamino)-5-nitrophenyl]ethanone,
1852234-12-8,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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