| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 11 | Yes |
Popular Name: 3-Bromo-2-Chlorobenzoic acid 3-Bromo-2-Chlorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56961-27-4 , N/A , [56961-27-4]
| 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) | 2.90 | 6.01 | -44.95 | 0 | 2 | -1 | 40 | 234.456 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 6.63 | -21.42 | 6 | 10 | 0 | 162 | 532.605 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 163 - 165 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 167-169° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.