In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 10 | Yes |
Popular Name: 3-Chloro-2-fluorobenzonitrile 3-Chloro-2-fluorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 94087-40-8
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) | 2.44 | 3.11 | -7.76 | 0 | 1 | 0 | 24 | 155.559 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 40-44? | Alfa-Aesar |
MP | 40-44° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 98% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.