5-[(2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
Chemical Structure Depiction of
5-[(2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
5-[(2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0548 |
| Compound Name: | 5-[(2-nitrophenoxy)methyl]thiophene-2-carboxylic acid |
| Molecular Weight: | 279.27 |
| Molecular Formula: | C12 H9 N O5 S |
| Smiles: | C(c1ccc(C(O)=O)s1)Oc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5924 |
| logD: | -0.7116 |
| logSw: | -2.9627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.06 |
| InChI Key: | IVIPBUFLZPQQJL-UHFFFAOYSA-N |