| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 18 | Yes |
Popular Name: TRANS-2- -1-CYCLOHEXANE-CARBOXYLICACID,98 TRANS-2- -1-CYCLOHEXANE-CARBOXYL…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 212757-09-0 , 85603-41-4
CIS-2-(4-BROMOBENZOYL)-1-CYCLOHEXANE-CARBOXYLICACID
TRANS-2-(4-BROMOBENZOYL)-1-CYCLOHEXANE-CARBOXYLIC ACID
| 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) | 3.67 | 0.55 | -54.85 | 0 | 3 | -1 | 57 | 310.167 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 163 - 169 | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
