| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 4-Iodophenylacetonitrile 4-Iodophenylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51628-12-7 , [51628-12-7]
| 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) | 2.99 | 1.93 | -8.07 | 0 | 1 | 0 | 24 | 243.047 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 55° | Fluorochem |
| BP | 152°/ 3mm | Matrix Scientific |
| Melting_Point | 52-54? | Alfa-Aesar |
| Melting_Point | 52-54° | Alfa-Aesar |
| MP | 55° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT, LIGHT SENSITIVE, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful/Light Sensitive | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.