| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 2-Bromo-6-methylbenzoic acid 2-Bromo-6-methylbenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 90259-31-7 , [90259-31-7]
| 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) | 2.67 | 0.12 | -52.41 | 0 | 2 | -1 | 40 | 214.038 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 8.39 | -19.45 | 3 | 7 | 0 | 107 | 472.377 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 107-111? | Alfa-Aesar |
| Melting_Point | 107-111° | Alfa-Aesar |
| MP | 110-112° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 96% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.