4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl 4-bromobenzoate
4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8002-2052 |
| Compound Name: | 4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenyl 4-bromobenzoate |
| Molecular Weight: | 371.19 |
| Molecular Formula: | C16 H11 Br N4 O2 |
| Smiles: | C(\c1ccc(cc1)OC(c1ccc(cc1)[Br])=O)=N/n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5543 |
| logD: | 2.5527 |
| logSw: | -2.7379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.584 |
| InChI Key: | NIBNXEQFELWRGG-UHFFFAOYSA-N |