phenylmethanaminium--6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-olate (1/1)
Chemical Structure Depiction of
phenylmethanaminium--6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-olate (1/1)
phenylmethanaminium--6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-olate (1/1)
Compound characteristics
| Compound ID: | 0217-0098 |
| Compound Name: | phenylmethanaminium--6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-olate (1/1) |
| Molecular Weight: | 354.76 |
| Molecular Formula: | C7 H Cl N O5 S |
| Salt: | C6H5CH2NH3+ |
| Smiles: | c1c2c(c(c(c1[Cl])[O-])[N+]([O-])=O)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.3973 |
| logD: | 2.3973 |
| logSw: | -2.9032 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.57 |
| InChI Key: | PIYCWIMSQRUMRH-UHFFFAOYSA-M |