| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | No |
Popular Name: 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-1-ethanone 2,2,2-trichloro-1-(4,5-dibromo-1…
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CAS Numbers: 50371-52-3 , [50371-52-3]
2,2,2-Trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-ethanone
2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethan-1-one
| 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) | 4.13 | 5.39 | -22.98 | 0 | 2 | -1 | 31 | 369.247 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 5.81 | -1.83 | 1 | 2 | 0 | 33 | 370.255 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.370000000000000e+002 - 1.390000000000000e+002 | KeyOrganics |
| melting_point | 137 - 139 | KeyOrganics |
| MP | 137-139° | Matrix Scientific |
| MP | 141 - 143 | Enamine Building Blocks |
| MP | 141...143 | Enamine Building Blocks |
| 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.