| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2009 | 12 | Yes |
Popular Name: Methyl 2-amino-3-bromobenzoate Methyl 2-amino-3-bromobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104670-74-8 , [104670-74-8]
| 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) | 2.49 | 3.94 | -4.66 | 2 | 3 | 0 | 52 | 230.061 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 45 - 49 | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.