| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 11 | Yes |
Popular Name: 2,4-Difluorobenzoic acid 2,4-Difluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1583-58-0 , 1765-08-8 , 455-86-7 , 83198-07-6 , N/A , [1583-58-0] , [1765-08-8]
"2,4-Difluorobenzoic acid, 98%"
2,4-Difluorobenzoic Acid [1583-58-0]
4-Fluoro-2-(Trifluoromethyl)benzoic Acid [141179-72-8]
Benzoic acid, 2,4-difluoro-, sodium salt; LS-36970; Sodium 2,4-difluorobenzoate
| 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) | 1.77 | 4.22 | -46.27 | 0 | 2 | -1 | 40 | 157.095 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 100 - 182 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 186-190? | Alfa-Aesar |
| Melting_Point | 186-190° | Alfa-Aesar |
| MP | 188 | TCI |
| MP | 188 - 190 | Enamine Building Blocks |
| MP | 188-190° | Matrix Scientific |
| MP | 188...190 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.