UCSF

ZINC02579307

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 2,4-Difluoro-3-methoxybenzoic acid 2,4-Difluoro-3-methoxybenzoic acid

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CAS Numbers: 178974-97-5 , [178974-97-5]

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) 1.75 3.63 -46.81 0 3 -1 49 187.121 2 ↓
Hi High (pH 8-9.5) 6.70 13.53 -10 0 6 0 79 426.424 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 193-195? Alfa-Aesar
Melting_Point 193-195° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% APIChem

Activity (Go SEA)

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