| CAS Number | 394-18-3 |
| Catalog Number | AG01FR0V(AGN-PC-3H5PCI) |
| Chemical Name | 1-Fluoro-5-methoxy-2,4-dinitro-benzene |
| IUPAC Name | 1-fluoro-5-methoxy-2,4-dinitrobenzene |
| InChI | InChI=1S/C7H5FN2O5/c1-15-7-2-4(8)5(9(11)12)3-6(7)10(13)14/h2-3H,1H3 |
| InChI Key | BKYHMDNLFGUECN-UHFFFAOYSA-N |
| MDL Number | MFCD25963082 |
| Molecular Formula | C7H5FN2O5 |
| Molecular Weight | 216.1234 |
| SMILES | COc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 2,4-dinitro-5-fluoroanisole,
394-18-3,
SCHEMBL12458650,
ZINC142975578,
1-fluoro-5-methoxy-2,4-dinitrobenzene,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.018249g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.12g/mol |
| Monoisotopic Mass | 216.018249g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 101Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number