UCSF

ZINC00409278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 2,4-Difluorobenzyl alcohol 2,4-Difluorobenzyl alcohol

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CAS Numbers: 56456-47-4 , 716325-02-9 , [56456-47-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.53 2.11 -3.37 1 1 0 20 144.12 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.54e+00 g/l DrugBank-experimental
Boiling_Point 51-52?/1mm Alfa-Aesar
Boiling_Point 51-52°/1mm Alfa-Aesar
BP 52°/1mm Matrix Scientific
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )