In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 11 | No |
Popular Name: 2,1,3-benzoxadiazole-5-carbaldehyde 2,1,3-benzoxadiazole-5-carbaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 32863-33-5 , [32863-33-5]
1,2,3-Benzoxadiazole-5-carbaldehyde
2,1,3-Benzoxadiazole-5-carboxaldehyde
2,1,3-Benzoxadiazole-5-carboxaldehyde (9CI)
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) | 1.67 | 3.07 | -7.7 | 0 | 4 | 0 | 56 | 148.121 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 58 | Acros Organics |
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.