| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2004 | 13 | Yes |
Popular Name: 3-(4-chlorophenyl)isoxazol-5-amine 3-(4-chlorophenyl)isoxazol-5-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 33866-48-7 , [33866-48-7]
"5-Amino-3-(4-chlorophenyl)isoxazole, 97%"
3-(4-Chloro-phenyl)-isoxazol-5-ylamine
3-(4-chlorophenyl)-1,2-oxazol-5-amine
3-(4-chlorophenyl)-5-isoxazolamine
3-(4-CHLOROPHENYL)-ISOXAZOL-5-YLAMINE
5-amino-3-(4-chlorophenyl)isoxazole
| 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) | 2.38 | -1.01 | -6.58 | 2 | 3 | 0 | 52 | 194.621 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 162 - 165 | KeyOrganics |
| MP | 162-165° | Matrix Scientific |
| MP | 164 - 166 | Enamine Building Blocks |
| MP | 164...166 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.