| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 14 | Yes |
Popular Name: 4-Bromo-2-(trifluoromethyl)benzoic acid 4-Bromo-2-(trifluoromethyl)benzo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 320-31-0 , [320-31-0]
4-Bromo-2-(trifluoromethyl)benzoic acid, 98%
4-Bromo-2-(Trifluoromethyl)BenzoicAcid
4-Bromo-2-trifluoromethyl benzoic acid
5-Bromo-2-carboxybenzotrifluoride
Benzoic acid, 4-bromo-2-(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) | 3.14 | 5.53 | -44.1 | 0 | 2 | -1 | 40 | 268.008 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 116 - 117 | Enamine Building Blocks |
| MP | 116-117° | Matrix Scientific |
| MP | 116...117 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.