| CAS Number | 1261589-39-2 |
| Catalog Number | AG01EH8Q |
| Chemical Name | 4-[(2-Fluoro-5-nitrophenyl)carbonyl]pyridine |
| IUPAC Name | (2-fluoro-5-nitrophenyl)-pyridin-4-ylmethanone |
| InChI | InChI=1S/C12H7FN2O3/c13-11-2-1-9(15(17)18)7-10(11)12(16)8-3-5-14-6-4-8/h1-7H |
| InChI Key | XFXYOZGVSIULFM-UHFFFAOYSA-N |
| MDL Number | MFCD18412357 |
| Molecular Formula | C12H7FN2O3 |
| Molecular Weight | 246.1940 |
| SMILES | Fc1ccc(cc1C(=O)c1ccncc1)[N+](=O)[O-] |
| Synonyms | (2-Fluoro-5-nitrophenyl)(pyridin-4-yl)methanone,
1261589-39-2,
4-[(2-Fluoro-5-nitrophenyl)carbonyl]pyridine,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.197g/mol |
| Monoisotopic Mass | 246.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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