| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 13 | Yes |
Popular Name: 2-Hydroxy-5-trifluoromethylbenzonitrile 2-Hydroxy-5-trifluoromethylbenzo…
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CAS Numbers: 142167-36-0 , 81465-88-5 , 875664-40-7 , [142167-36-0]
2-hydroxy-5-(trifluoromethyl)benzonitrile
2-Hydroxy-5-trifluoromethyl benzonitrile
None
| 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) | 2.50 | 3.84 | -34.05 | 0 | 2 | -1 | 47 | 186.112 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 3.07 | -7.11 | 1 | 2 | 0 | 44 | 187.12 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 152 - 154 | Enamine Building Blocks |
| MP | 152...154 | 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.