| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2005 | 15 | Yes |
Popular Name: 3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one 3-chloro-5,7-dihydroxy-4-methyl-…
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CAS Numbers: 22649-27-0 , n / a , [22649-27-0]
2H-1-benzopyran-2-one, 3-chloro-5,7-dihydroxy-4-methyl-
3-chloro-5,7-dihydroxy-4-methyl coumarin
3-Chloro-5,7-dihydroxy-4-methyl-chromen-2-one
| 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) | 2.20 | -1.2 | -12.64 | 2 | 4 | 0 | 71 | 226.615 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 332 - 334 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
