| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 17 | Yes |
Popular Name: 2-(methylsulfonyl)-4-(trifluoromethyl)benzoic acid 2-(methylsulfonyl)-4-(trifluorom…
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CAS Numbers: 142994-06-7 , [142994-06-7]
2-(methylsulfonyl)-4-(trifluoromethyl)benzoicacid
2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID
2-Methylsulfonyl-4-trifluoromethylbenzoic acid
2-METHYLSULFONYL-4-TRIFLUOROMETHYLBENZOICACID
Benzoic acid, 2-(methylsulfonyl)-4-(trifluoromethyl)-
| 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 | 4.03 | -41.41 | 0 | 4 | -1 | 74 | 267.204 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.