4-{[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2,2,5,5-tetramethyloxolan-3-one
Chemical Structure Depiction of
4-{[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2,2,5,5-tetramethyloxolan-3-one
4-{[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2,2,5,5-tetramethyloxolan-3-one
Compound characteristics
| Compound ID: | 8016-6567 |
| Compound Name: | 4-{[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2,2,5,5-tetramethyloxolan-3-one |
| Molecular Weight: | 389.83 |
| Molecular Formula: | C20 H20 Cl N O5 |
| Smiles: | Cc1cc(c(cc1c1ccc(/C=C2C(C(C)(C)OC/2(C)C)=O)o1)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4565 |
| logD: | 5.4565 |
| logSw: | -6.0561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.213 |
| InChI Key: | SIMFARLSWNJRBR-UHFFFAOYSA-N |