UCSF

ZINC01726278

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 2,4,5-Trichlorobenzoic acid 2,4,5-Trichlorobenzoic acid

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CAS Numbers: 50-82-8 , [50-82-8]

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) 3.40 0.32 -40.66 0 2 -1 40 224.45 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 166-167° Oakwood Chemical
Purity 95% Fluorochem

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