methyl 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoate
methyl 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0109-0207 |
| Compound Name: | methyl 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoate |
| Molecular Weight: | 348.76 |
| Molecular Formula: | C15 H9 Cl N2 O4 S |
| Smiles: | COC(c1ccc(cc1)c1nc2cc(c(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7336 |
| logD: | 4.7336 |
| logSw: | -5.0246 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.942 |
| InChI Key: | ZIQGJRYPXPWPKX-UHFFFAOYSA-N |