| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 3-(3-bromophenyl)-3-oxopropanenitrile 3-(3-bromophenyl)-3-oxopropaneni…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70591-86-5 , [70591-86-5]
| 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) | 1.70 | 6.05 | -16.66 | 0 | 2 | 0 | 41 | 224.057 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| melting_point | 93 - 95 | KeyOrganics |
| MP | 93-95° | Matrix Scientific |
| MP | 94 - 96 | Enamine Building Blocks |
| MP | 94...96 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| MP | 98-100° | Oakwood Chemical |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
