| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 21 | No |
Popular Name: methyl 4-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-3-fluorobenzoate methyl 4-{[(5-bromo-2-hydroxyphe…
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CAS Number: 1296225-21-2
Methyl 4-{[(5-bromo-2-hydroxyphenyl)methylidene]-amino}-3-fluorobenzoate
methyl4-{[(5-bromo-2-hydroxyphenyl)methylidene]-amino}-3-fluorobenzoate
| 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) | 4.46 | 6.75 | -10.82 | 1 | 4 | 0 | 59 | 352.159 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 6.31 | -33.14 | 0 | 4 | -1 | 62 | 351.151 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.53 | -45.82 | 0 | 4 | -1 | 62 | 351.151 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.850000000000000e+002 - 1.870000000000000e+002 | KeyOrganics |
| melting_point | 185 - 187 | KeyOrganics |
| MP | 185-187° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
