2-(3-chloro-2-hydroxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-chloro-2-hydroxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(3-chloro-2-hydroxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5021-0128 |
| Compound Name: | 2-(3-chloro-2-hydroxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 334.71 |
| Molecular Formula: | C15 H11 Cl N2 O5 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1cc(cc(c1O)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0464 |
| logD: | 0.0152 |
| logSw: | -2.6452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.284 |
| InChI Key: | KLCLZWWVASNUES-UHFFFAOYSA-N |