2-(4-bromophenyl)-2-oxoethyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 3-methyl-4-nitrobenzoate
2-(4-bromophenyl)-2-oxoethyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 3257-1040 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 378.18 |
| Molecular Formula: | C16 H12 Br N O5 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4104 |
| logD: | 4.4104 |
| logSw: | -4.5764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.424 |
| InChI Key: | NTCDDAFPSRRVLN-UHFFFAOYSA-N |