| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 23 | Yes |
Popular Name: 5-(carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid 5-(carboxymethyl)-1-[4-(trifluor…
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CAS Numbers: 439095-12-2 , N/A
5-(Carboxymethyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazole-4-carboxylic acid
5-(carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1h-1,2,3-triazole-4-carboxylicacid
| 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) | 1.57 | 2.26 | -114.84 | 0 | 8 | -2 | 120 | 329.19 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.890000000000000e+002 - 1.900000000000000e+002 | KeyOrganics |
| melting_point | 189 - 190 | KeyOrganics |
| MP | 189-190° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.