| CAS Number | 1048368-31-5 |
| Catalog Number | AG00HAF6(AGN-PC-0WR7L1) |
| Chemical Name | 1-Fluoro-2-nitro-4-propoxybenzene |
| IUPAC Name | 1-fluoro-2-nitro-4-propoxybenzene |
| InChI | InChI=1S/C9H10FNO3/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5H2,1H3 |
| InChI Key | BFIJJLVTEFHCSX-UHFFFAOYSA-N |
| MDL Number | MFCD18812381 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | CCCOc1ccc(c(c1)[N+](=O)[O-])F |
| Synonyms | 1-FLUORO-2-NITRO-4-PROPOXYBENZENE,
1048368-31-5,
ZINC238261071,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.181g/mol |
| Monoisotopic Mass | 199.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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