| CAS Number | 2104152-50-1 |
| Catalog Number | AG01FR0J(AGN-PC-3H5PCO) |
| Chemical Name | 4-Fluoro-3-methoxy-2,6-dinitro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-fluoro-3-methoxy-2,6-dinitrobenzoate |
| InChI | InChI=1S/C9H7FN2O7/c1-18-8-4(10)3-5(11(14)15)6(9(13)19-2)7(8)12(16)17/h3H,1-2H3 |
| InChI Key | VLWQCPHZKNTYCO-UHFFFAOYSA-N |
| MDL Number | MFCD30834247 |
| Molecular Formula | C9H7FN2O7 |
| Molecular Weight | 274.1595 |
| SMILES | |
| Synonyms | 4-Fluoro-3-methoxy-2,6-dinitro-benzoic acid methyl ester,
2104152-50-1,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.023729g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.16g/mol |
| Monoisotopic Mass | 274.023729g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 127Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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