| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 12 | Yes |
Popular Name: Methyl 4-chloro-3-hydroxybenzoate Methyl 4-chloro-3-hydroxybenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 166272-81-7 , [166272-81-7]
| 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 | 2.84 | -6.46 | 1 | 3 | 0 | 47 | 186.594 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 3.59 | -41.73 | 0 | 3 | -1 | 49 | 185.586 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
