| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | No |
Popular Name: 4-(2-Chloroethyl)benzoic acid 4-(2-Chloroethyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20849-78-9 , [20849-78-9]
| 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) | 2.63 | 0.95 | -50.06 | 0 | 2 | -1 | 40 | 183.614 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 2.59 | -90.4 | 8 | 8 | 2 | 133 | 442.47 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182 - 186 | Enamine Building Blocks |
| MP | 183 - 185 | Enamine Building Blocks |
| MP | 183...185 | Enamine Building Blocks |
| Melting_Point | 187-189? | Alfa-Aesar |
| Melting_Point | 187-189° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
