| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 16 | Yes |
Popular Name: 2-Phenoxybenzoic acid 2-Phenoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-55-8 , 2243-42-7 , 85-52-9 , [2243-42-7]
| 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) | 3.64 | 1.75 | -57.43 | 0 | 3 | -1 | 49 | 213.212 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 6.67 | -18.35 | 5 | 8 | 0 | 133 | 465.489 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 110 - 112 | Enamine Building Blocks |
| M.P | 110-112 °C | Indofine |
| MP | 110...112 | Enamine Building Blocks |
| Melting_Point | 111-115? | Alfa-Aesar |
| Melting_Point | 111-115° | Alfa-Aesar |
| MP | 113 | TCI |
| BP | 355 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
