1-[(5-bromo-2-fluorophenyl)sulfanyl]-2-methyl-3,5-dinitrobenzene
Chemical Structure Depiction of
1-[(5-bromo-2-fluorophenyl)sulfanyl]-2-methyl-3,5-dinitrobenzene
1-[(5-bromo-2-fluorophenyl)sulfanyl]-2-methyl-3,5-dinitrobenzene
Compound characteristics
| Compound ID: | 8007-2951 |
| Compound Name: | 1-[(5-bromo-2-fluorophenyl)sulfanyl]-2-methyl-3,5-dinitrobenzene |
| Molecular Weight: | 387.18 |
| Molecular Formula: | C13 H8 Br F N2 O4 S |
| Smiles: | Cc1c(cc(cc1Sc1cc(ccc1F)[Br])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1447 |
| logD: | 5.1447 |
| logSw: | -5.2412 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.429 |
| InChI Key: | WOOKWVFMEZLBFA-UHFFFAOYSA-N |