prop-2-yn-1-yl 2-(1H-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate
Chemical Structure Depiction of
prop-2-yn-1-yl 2-(1H-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate
prop-2-yn-1-yl 2-(1H-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate
Compound characteristics
| Compound ID: | 8009-6809 |
| Compound Name: | prop-2-yn-1-yl 2-(1H-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate |
| Molecular Weight: | 443.07 |
| Molecular Formula: | C17 H7 Cl4 N3 O3 |
| Smiles: | C#CCOC(c1c(C(n2c3ccccc3nn2)=O)c(c(c(c1[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2046 |
| logD: | 4.2046 |
| logSw: | -5.5884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.044 |
| InChI Key: | LVPJLTLNKDSCCC-UHFFFAOYSA-N |