| CAS Number | 1379331-55-1 |
| Catalog Number | AG01DYPW |
| Chemical Name | methyl 6-fluoro-5-nitropyridine-3-carboxylate |
| IUPAC Name | methyl 6-fluoro-5-nitropyridine-3-carboxylate |
| InChI | InChI=1S/C7H5FN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3 |
| InChI Key | AFXLRSZOLSXZOJ-UHFFFAOYSA-N |
| MDL Number | MFCD18905814 |
| Molecular Formula | C7H5FN2O4 |
| Molecular Weight | 200.1240 |
| SMILES | COC(C1=CC([N+]([O-])=O)=C(F)N=C1)=O |
| Synonyms | METHYL 6-FLUORO-5-NITRO-3-PYRIDINECARBOXYLATE,
1379331-55-1,
SCHEMBL17204604,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.125g/mol |
| Monoisotopic Mass | 200.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number