| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 17 | No |
Popular Name: 4-(2-fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde 4-(2-fluorobenzoyl)-1-methyl-1H-…
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CAS Numbers: 446275-97-4 , [446275-97-4]
4-(2-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carboxaldehyde
4-(2-Fluorobenzoyl)-1-methylpyrrole-2-carboxaldehyde
| 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) | 2.45 | 3.3 | -13.89 | 0 | 3 | 0 | 39 | 231.226 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 122 - 123 | KeyOrganics |
| MP | 122-123° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.