sodium--1,1,1-trifluoro-4-[4-(1H-imidazol-1-yl)phenyl]-4-oxobut-2-en-2-olate (1/1)
Chemical Structure Depiction of
sodium--1,1,1-trifluoro-4-[4-(1H-imidazol-1-yl)phenyl]-4-oxobut-2-en-2-olate (1/1)
sodium--1,1,1-trifluoro-4-[4-(1H-imidazol-1-yl)phenyl]-4-oxobut-2-en-2-olate (1/1)
Compound characteristics
| Compound ID: | Y503-3054 |
| Compound Name: | sodium--1,1,1-trifluoro-4-[4-(1H-imidazol-1-yl)phenyl]-4-oxobut-2-en-2-olate (1/1) |
| Molecular Weight: | 304.2 |
| Molecular Formula: | C13 H8 F3 N2 O2 |
| Salt: | Na+ |
| Smiles: | C(=C(/C(F)(F)F)[O-])/C(c1ccc(cc1)n1ccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.719 |
| logD: | 1.6938 |
| logSw: | -1.7681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.772 |
| InChI Key: | UVNBCXCPQIFDMG-KPKJPENVSA-M |