| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2008 | 17 | Yes |
Popular Name: 2-Methylsulfonyl-5-(trifluoromethyl)benzoic acid 2-Methylsulfonyl-5-(trifluoromet…
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CAS Numbers: 1000339-64-9 , [1000339-64-9]
2-(Methylsulfonyl)-5-(trifluoromethyl)benzoic acid
2-(Methylsulphonyl)-5-(trifluoromethyl)benzoic acid
2-Carboxy-4-(trifluoromethyl)phenyl methyl sulphone, 3-Carboxy-4-(methylsulphonyl)benzotrifluoride
2-Methylsulfonyl-5-trifluoromethylbenzoic acid
2-methylsulfonyl-5-trifluoromethylbenzoicacid
| 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) | 1.64 | 3.09 | -46.61 | 0 | 4 | -1 | 74 | 267.204 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 176 - 178 oC | Matrix Scientific |
| MP | 176-179° | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.