3-(3-chloro-2-methylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-2-methylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
3-(3-chloro-2-methylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0093 |
| Compound Name: | 3-(3-chloro-2-methylanilino)-4-ethoxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 265.69 |
| Molecular Formula: | C13 H12 Cl N O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1cccc(c1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1933 |
| logD: | 3.0061 |
| logSw: | -3.3176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | KCVCFXYNUVWEHO-UHFFFAOYSA-N |