3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-6362 |
| Compound Name: | 3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 454.07 |
| Molecular Formula: | C16 H10 Br2 N2 O4 |
| Smiles: | COc1cc(/C=C(C#N)/c2ccc(cc2)[N+]([O-])=O)c(c(c1O)[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4106 |
| logD: | 4.0728 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.514 |
| InChI Key: | DCWXWUAOIZYMGK-UHFFFAOYSA-N |