| CAS Number | 1233955-14-0 |
| Catalog Number | AG01EH9B |
| Chemical Name | 2-(Cyclopentyloxy)-1-fluoro-3-nitrobenzene |
| IUPAC Name | 2-cyclopentyloxy-1-fluoro-3-nitrobenzene |
| InChI | InChI=1S/C11H12FNO3/c12-9-6-3-7-10(13(14)15)11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2 |
| InChI Key | ITNISDUHPZFZSR-UHFFFAOYSA-N |
| MDL Number | MFCD17014082 |
| Molecular Formula | C11H12FNO3 |
| Molecular Weight | 225.2163 |
| SMILES | [O-][N+](=O)C1=C(OC2CCCC2)C(F)=CC=C1 |
| Synonyms | 2-(Cyclopentyloxy)-1-fluoro-3-nitrobenzene,
1233955-14-0,
ZINC67800679,
KS-5549,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.219g/mol |
| Monoisotopic Mass | 225.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number