| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | Yes |
Popular Name: 4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxylic acid 4-oxo-3-[3-(trifluoromethyl)phen…
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CAS Numbers: 339021-26-0 , 89424-17-9
3,4-Dihydro-4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylic acid 97%
3-(4-Carboxy-1-oxophthalazin-2(1H)-yl)benzotrifluoride
4-Oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-
4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxylicacid
| 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) | 3.42 | 3.12 | -49.4 | 0 | 5 | -1 | 75 | 333.245 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 210 - 213 | KeyOrganics |
| MP | 210-213° | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.