| CAS Number | 1956318-68-5 |
| Catalog Number | AG01DKDZ |
| Chemical Name | Methyl 2-fluoro-6-methoxy-3-nitrobenzoate |
| IUPAC Name | methyl 2-fluoro-6-methoxy-3-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO5/c1-15-6-4-3-5(11(13)14)8(10)7(6)9(12)16-2/h3-4H,1-2H3 |
| InChI Key | QTSOEFBZUZVBMR-UHFFFAOYSA-N |
| MDL Number | MFCD28992012 |
| Molecular Formula | C9H8FNO5 |
| Molecular Weight | 229.1619 |
| SMILES | COC(=O)c1c(OC)ccc(c1F)[N+](=O)[O-] |
| Synonyms | Methyl 2-fluoro-6-methoxy-3-nitrobenzoate,
1956318-68-5,
MFCD28992012,
AKOS027256505,
ZINC261508244,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.163g/mol |
| Monoisotopic Mass | 229.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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