In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 10 | Yes |
Popular Name: 3-Fluoro-4-iodobenzonitrile 3-Fluoro-4-iodobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 887266-99-1 , [887266-99-1]
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) | 2.87 | 6.02 | -4.66 | 0 | 1 | 0 | 24 | 247.01 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 110-113° | Oakwood Chemical |
Melting_Point | 113-117? | Alfa-Aesar |
Melting_Point | 113-117° | Alfa-Aesar |
Purity | 98% | Matrix Scientific |
Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.