N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-methylaniline--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-methylaniline--oxalic acid (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-methylaniline--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 2910-2540 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-methylaniline--oxalic acid (1/1) |
| Molecular Weight: | 410.22 |
| Molecular Formula: | C15 H14 Br N O2 |
| Salt: | HOOCCOOH |
| Smiles: | Cc1cc(ccc1[Br])NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2594 |
| logD: | 4.2593 |
| logSw: | -4.3848 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5884 |
| InChI Key: | JMCQMZXBTAQHAD-UHFFFAOYSA-N |