In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 16 | Yes |
Popular Name: 4-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid 4-(Trifluoromethyl)benzo[b]thiop…
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CAS Numbers: 826995-55-5 , [826995-55-5]
4-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
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) | 3.56 | 1.83 | -52.42 | 0 | 2 | -1 | 40 | 245.201 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 188 - 190 | KeyOrganics |
MP | 188-190° | Matrix Scientific |
Purity | 95% | Fluorochem |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.