3-[(4-bromophenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Chemical Structure Depiction of
3-[(4-bromophenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
3-[(4-bromophenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Compound characteristics
| Compound ID: | 3320-0159 |
| Compound Name: | 3-[(4-bromophenoxy)methyl]-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane |
| Molecular Weight: | 341.99 |
| Molecular Formula: | C13 H17 B Br N O4 |
| Smiles: | [B]12OCCN(CCO1)CC(COc1ccc(cc1)[Br])O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0593 |
| logD: | 1.9831 |
| logSw: | -2.1244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.569 |
| InChI Key: | ZIDMWXOLIDKJBJ-CYBMUJFWSA-N |