| CAS Number | 1233955-78-6 |
| Catalog Number | AG01EH9M(AGN-PC-3H45EO) |
| Chemical Name | 1-Fluoro-2-isopropoxy-3-nitrobenzene |
| IUPAC Name | 1-fluoro-3-nitro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10FNO3/c1-6(2)14-9-7(10)4-3-5-8(9)11(12)13/h3-6H,1-2H3 |
| InChI Key | FHHZJUMUEUOSQS-UHFFFAOYSA-N |
| MDL Number | MFCD17014081 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | FC1=CC=CC(=C1OC(C)C)[N+](=O)[O-] |
| Synonyms | 1-Fluoro-2-isopropoxy-3-nitrobenzene,
1233955-78-6,
ZINC67800677,
AKOS026671716,
KS-5548,
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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
Lot Number