| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 14 | Yes |
Popular Name: 4-Fluoro-3-(trifluoromethyl)benzoic acid 4-Fluoro-3-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67515-55-3 , [67515-55-3]
4-Fluoro-3-(trifluoromethyl)benzoic acid 98%
4-Fluoro-3-(trifluoromethyl)benzoic acid, 98%
4-Fluoro-3-(trifluoromethyl)benzoicacid
4-Fluoro-3-trifluoromethylbenzoic acid
5-Carboxy-2-fluorobenzotrifluoride
alpha,alpha,alpha,4-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) | 2.84 | 3.63 | -40.94 | 0 | 2 | -1 | 40 | 207.102 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 114 - 116 | Enamine Building Blocks |
| Melting_Point | 114-116? | Alfa-Aesar |
| Melting_Point | 114-116° | Alfa-Aesar |
| MP | 114...116 | Enamine Building Blocks |
| MP | 115 - 116 | Enamine Building Blocks |
| MP | 116 - 116 | Enamine Building Blocks |
| MP | 116 - 118 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.