| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 11 | Yes |
Popular Name: 3-Fluoro-2-iodobenzoic acid 3-Fluoro-2-iodobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 387-48-4 , [387-48-4]
| 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) | 2.66 | 5.06 | -44.73 | 0 | 2 | -1 | 40 | 265.001 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 7.9 | -24.73 | 4 | 11 | 0 | 151 | 633.668 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 148 - 150 | Enamine Building Blocks |
| MP | 148...150 | 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.