8-bromo-3-nitrodibenzo[b,f]oxepine-2-carboxylic acid
Chemical Structure Depiction of
8-bromo-3-nitrodibenzo[b,f]oxepine-2-carboxylic acid
8-bromo-3-nitrodibenzo[b,f]oxepine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8017-4200 |
| Compound Name: | 8-bromo-3-nitrodibenzo[b,f]oxepine-2-carboxylic acid |
| Molecular Weight: | 362.13 |
| Molecular Formula: | C15 H8 Br N O5 |
| Smiles: | C1=Cc2cc(C(O)=O)c(cc2Oc2ccc(cc12)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1629 |
| logD: | 0.1507 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.872 |
| InChI Key: | BLBKLTMNJFCBOO-UHFFFAOYSA-N |