| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 11 | Yes |
Popular Name: 4-Bromo-3-chlorobenzoic acid 4-Bromo-3-chlorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25118-59-6 , [25118-59-6]
| 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) | 3.26 | -0.09 | -42.49 | 0 | 2 | -1 | 40 | 234.456 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 220-221° | Oakwood Chemical |
| MP | 220-224 | Oakwood Chemical |
| Melting_Point | 220-224? | Alfa-Aesar |
| MP | 220-224° | Matrix Scientific |
| Melting_Point | 220-225? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.