methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0478-0625 |
| Compound Name: | methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate |
| Molecular Weight: | 332.7 |
| Molecular Formula: | C15 H9 Cl N2 O5 |
| Smiles: | COC(c1ccc(cc1)c1nc2cc(cc(c2o1)[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0465 |
| logD: | 4.0465 |
| logSw: | -4.5249 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.837 |
| InChI Key: | FUMMYJNITDWRQO-UHFFFAOYSA-N |