In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2004 | 11 | Yes |
Popular Name: 3,4-Difluorobenzoic acid 3,4-Difluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 455-86-7 , 522651-44-1 , [455-86-7] , [522651-44-1]
3,4-Difluorobenzoic acid sodium salt
3,4-Difluorobenzoic acid sodium salt, 98%+
3,4-Difluorobenzoic Acid [455-86-7]
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) | 2.10 | 2.25 | -42.13 | 0 | 2 | -1 | 40 | 157.095 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 121-124? | Alfa-Aesar |
Melting_Point | 121-124° | Alfa-Aesar |
MP | 122-124° | Matrix Scientific |
MP | 123 | TCI |
MP | 124 - 128 | Enamine Building Blocks |
MP | 124...128 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 97% | APIChem |
Purity | 98% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.