| CAS Number | 1806492-80-7 |
| Catalog Number | AG01B6AQ |
| Chemical Name | 5-fluoro-3-methyl-2-nitrobenzamide |
| IUPAC Name | 5-fluoro-3-methyl-2-nitrobenzamide |
| InChI | InChI=1S/C8H7FN2O3/c1-4-2-5(9)3-6(8(10)12)7(4)11(13)14/h2-3H,1H3,(H2,10,12) |
| InChI Key | QUFLYDXFGDRUPV-UHFFFAOYSA-N |
| MDL Number | MFCD28797514 |
| Molecular Formula | C8H7FN2O3 |
| Molecular Weight | 198.1512 |
| SMILES | CC1=C([N+]([O-])=O)C(C(N)=O)=CC(F)=C1 |
| Synonyms | 5-Fluoro-3-methyl-2-nitrobenzamide,
1806492-80-7,
ZINC307347780,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.153g/mol |
| Monoisotopic Mass | 198.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number