(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(trifluoromethyl)benzoate
Chemical Structure Depiction of
(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(trifluoromethyl)benzoate
(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(trifluoromethyl)benzoate
Compound characteristics
| Compound ID: | C347-0033 |
| Compound Name: | (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-(trifluoromethyl)benzoate |
| Molecular Weight: | 349.27 |
| Molecular Formula: | C16 H10 F3 N3 O3 |
| Smiles: | C(N1C(c2ccccc2N=N1)=O)OC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7476 |
| logD: | 3.7476 |
| logSw: | -4.2996 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.537 |
| InChI Key: | LLTCHXACVGXSHW-UHFFFAOYSA-N |