| CAS Number | 50440-64-7 |
| Catalog Number | AG01EH6B(AGN-PC-0S8F1W) |
| Chemical Name | 1-Ethyl-6-nitroquinolin-4-one |
| IUPAC Name | 1-ethyl-6-nitroquinolin-4-one |
| InChI | InChI=1S/C11H10N2O3/c1-2-12-6-5-11(14)9-7-8(13(15)16)3-4-10(9)12/h3-7H,2H2,1H3 |
| InChI Key | NBTDCHNREGPDHY-UHFFFAOYSA-N |
| MDL Number | MFCD27924519 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| NSC Number | 166891 |
| SMILES | CCn1ccc(=O)c2c1ccc(c2)[N+](=O)[O-] |
| Synonyms | 1-ethyl-6-nitroquinolin-4-one,
50440-64-7,
NSC166891,
4(1H)-Quinolinone, 1-ethyl-6-nitro-,
AC1L6QDS,
DTXSID80304710,
NSC-166891,
CID296622,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.212g/mol |
| Monoisotopic Mass | 218.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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