| CAS Number | 1229647-66-8 |
| Catalog Number | AG00HH62(AGN-PC-0WNO96) |
| Chemical Name | 1-Fluoro-2-isopropoxy-4-nitrobenzene |
| IUPAC Name | 1-fluoro-4-nitro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10FNO3/c1-6(2)14-9-5-7(11(12)13)3-4-8(9)10/h3-6H,1-2H3 |
| InChI Key | SHEDOPNEHCWGSL-UHFFFAOYSA-N |
| MDL Number | MFCD23114386 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | CC(Oc1cc(ccc1F)[N+](=O)[O-])C |
| Synonyms | 1-Fluoro-2-isopropoxy-4-nitrobenzene,
1229647-66-8,
ZINC97756634,
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| Complexity | 205 |
| 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 | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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