| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 13 | Yes |
Popular Name: 3-bromo-1H-indole-2-carboxylic acid 3-bromo-1H-indole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28737-33-9 , [28737-33-9]
| 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) | 2.71 | -1.4 | -46.27 | 1 | 3 | -1 | 56 | 239.048 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 201 - 203 | KeyOrganics |
| MP | 201-203° | Matrix Scientific |
| 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.