In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 11 | Yes |
Popular Name: 4-Fluoro-3-methoxybenzonitrile 4-Fluoro-3-methoxybenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 243128-37-2 , 331-62-2 , 51517-88-5 , [243128-37-2]
4-Fluoro-3-methoxybenzonitrile 98%
4-Fluoro-3-methoxybenzonitrile, 98+%
Benzonitrile, 4-fluoro-3-methoxy-
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) | 1.84 | 4.25 | -6.21 | 0 | 2 | 0 | 33 | 151.14 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 105-107° | Oakwood Chemical |
Melting_Point | 108-109? | Alfa-Aesar |
Melting_Point | 108-109° | Alfa-Aesar |
MP | 109 | TCI |
MP | 109 - 111 | Enamine Building Blocks |
MP | 109...111 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Boiling_Point | 96-98?/1.5mm | Alfa-Aesar |
Boiling_Point | 96-98°/1.5mm | Alfa-Aesar |
Purity | 98% | Fluorochem |
Purity | 99% | Matrix Scientific |
Warnings | IRRITANT-HARMFUL | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.