| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 14 | Yes |
Popular Name: 3-bromo-1-methyl-1H-indole-2-carboxylic acid 3-bromo-1-methyl-1H-indole-2-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 499983-77-6 , N/A , [499983-77-6]
| 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) | 2.78 | 6.2 | -47.79 | 0 | 3 | -1 | 45 | 253.075 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 179° | Matrix Scientific |
| MP | 204 - 206 | Enamine Building Blocks |
| MP | 204...206 | Enamine Building Blocks |
| melting_point | 206 - 208 (Dec) | KeyOrganics |
| MP | 206-208°(dec) | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
