In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2009 | 13 | No |
Popular Name: 3-Methoxy-4-nitrobenzonitrile 3-Methoxy-4-nitrobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 177476-75-4 , [177476-75-4]
3-Methoxy-4-nitro-benzonitrile
3-methoxy-4-nitrobenzenecarbonitrile
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) | 1.64 | 5.65 | -9.77 | 0 | 5 | 0 | 79 | 178.147 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 125 - 126 | KeyOrganics |
MP | 125 - 127 | Enamine Building Blocks |
MP | 125-126° | Matrix Scientific |
MP | 125...127 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |