| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 18 | No |
Popular Name: 2-Nitro-4-(trifluoromethyl)phenylthioglycolic acid 2-Nitro-4-(trifluoromethyl)pheny…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 728-56-3 , [728-56-3]
2-Nitro-4-(trifluoromethyl)phenylthioglycolic
2-Nitro-4-(trifluoromethyl)phenylthioglycolicacid
2-Nitro-4-(trifluoromethyl)phenylthioglycollic acid 98%
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetic acid
2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}acetic 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) | 2.40 | 3.1 | -45.87 | 0 | 5 | -1 | 85 | 280.203 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 156-158° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.