| CAS Number | 1233952-90-3 |
| Catalog Number | AG01EHA1(AGN-PC-3H45F9) |
| Chemical Name | 1-Fluoro-2-(2-methoxyethoxy)-3-nitrobenzene |
| IUPAC Name | 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene |
| InChI | InChI=1S/C9H10FNO4/c1-14-5-6-15-9-7(10)3-2-4-8(9)11(12)13/h2-4H,5-6H2,1H3 |
| InChI Key | ZJRZZNMZMFYFLB-UHFFFAOYSA-N |
| MDL Number | MFCD17014042 |
| Molecular Formula | C9H10FNO4 |
| Molecular Weight | 215.1784 |
| SMILES | FC1C=CC=C(C=1OCCOC)[N+](=O)[O-] |
| Synonyms | 1-Fluoro-2-(2-methoxyethoxy)-3-nitrobenzene,
1233952-90-3,
ZINC67800614,
KS-5485,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.18g/mol |
| Monoisotopic Mass | 215.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number