| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 14 | Yes |
Popular Name: 2-fluoro-5-(trifluoromethyl)benzoic acid 2-fluoro-5-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Number: 115029-23-7
2-Fluoro-5-(trifluoromethyl)benzoic acid 98%
2-Fluoro-5-(trifluoromethyl)benzoic acid, 98+%
2-Fluoro-5-(trifluoromethyl)benzoicacid
2-Fluoro-5-trifluoromethylbenzioc acid
2-Fluoro-5-trifluoromethylbenzoic acid
alpha,alpha,alpha,6-Tetrafluoro-m-toluic 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) | 2.50 | 3.6 | -48.78 | 0 | 2 | -1 | 40 | 207.102 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100 | TCI |
| MP | 101 - 103 | Enamine Building Blocks |
| Melting_Point | 101-102? | Alfa-Aesar |
| Melting_Point | 101-102° | Alfa-Aesar |
| MP | 101...103 | Enamine Building Blocks |
| MP | 102 - 103 | Enamine Building Blocks |
| MP | 103 - 103 | Enamine Building Blocks |
| MP | 103 - 105 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | 96+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.