| CAS Number | 1864061-71-1 |
| Catalog Number | AG01AP0G |
| Chemical Name | 1-(tert-butylsulfanyl)-2-fluoro-4-nitrobenzene |
| IUPAC Name | 1-tert-butylsulfanyl-2-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C10H12FNO2S/c1-10(2,3)15-9-5-4-7(12(13)14)6-8(9)11/h4-6H,1-3H3 |
| InChI Key | GWROXQPBGHVJKU-UHFFFAOYSA-N |
| MDL Number | MFCD29034351 |
| Molecular Formula | C10H12FNO2S |
| Molecular Weight | 229.2712 |
| SMILES | CC(SC1=C(F)C=C([N+]([O-])=O)C=C1)(C)C |
| Synonyms | 1-(tert-butylsulfanyl)-2-fluoro-4-nitrobenzene,
1864061-71-1,
ZINC75667348,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.269g/mol |
| Monoisotopic Mass | 229.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number