| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 14 | No |
Popular Name: Methyl 3-bromomethyl-4-cyanobenzoate Methyl 3-bromomethyl-4-cyanobenz…
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CAS Numbers: 908562-24-3 , 908562-25-4 , [908562-24-3]
Methyl 3-(bromomethyl)-4-cyanobenzoate
methyl-3-(bromomethyl)-4-cyanobenzoate
methyl-3-bromomethyl-4-cyanobenzoate
| 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) | 2.50 | 6.77 | -7.76 | 0 | 3 | 0 | 50 | 254.083 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.