| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 13 | Yes |
Popular Name: 5-bromo-2-propoxybenzonitrile 5-bromo-2-propoxybenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 279262-21-4
5-Bromo-2-n-propoxybenzonitrile
5-Bromo-2-n-propoxybenzonitrile, 95%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.37 | 1.97 | -6.32 | 0 | 2 | 0 | 33 | 240.1 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO2000037455A1 | IBM Patent Data |
