| CAS Number | 445-68-1 |
| Catalog Number | AG00DKYE(AGN-PC-0WRA2W) |
| Chemical Name | 2-Fluoro-1-methoxy-3-nitrobenzene |
| IUPAC Name | 2-fluoro-1-methoxy-3-nitrobenzene |
| InChI | InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3 |
| InChI Key | WDQHQUDZNPCCAF-UHFFFAOYSA-N |
| MDL Number | MFCD13185616 |
| Molecular Formula | C7H6FNO3 |
| Molecular Weight | 171.1258 |
| SMILES | O=[N+](C1=C(F)C(OC)=CC=C1)[O-] |
| Synonyms | 2-fluoro-1-methoxy-3-nitrobenzene,
445-68-1,
2-Fluoro-3-nitroanisole,
SCHEMBL11693495,
ZINC143861389,
SC-47647,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.127g/mol |
| Monoisotopic Mass | 171.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number