| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 13 | Yes |
Popular Name: 3,4-Difluoromandelic acid 3,4-Difluoromandelic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 132741-29-8
(3,4-Difluorophenyl)(hydroxy)acetic acid
2-(3,4-Difluorophenyl)-2-hydroxyacetic acid
2-(3,4-Difluorophenyl)-2-hydroxyaceticacid
3,4-Difluoromandelic acid, 97%
| 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) | 0.63 | 2.75 | -41.71 | 1 | 3 | -1 | 60 | 187.121 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 92-94° | Matrix Scientific |
| Melting_Point | 92-96? | Alfa-Aesar |
| Melting_Point | 92-96° | Alfa-Aesar |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
