UCSF

ZINC34613227

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 No

Popular Name: 2,5-Difluoro-3-nitrobenzoic acid 2,5-Difluoro-3-nitrobenzoic acid

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CAS Numbers: 741721-49-3 , [741721-49-3]

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) 1.65 5.82 -41.2 0 5 -1 86 202.092 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP 97-112° Oakwood Chemical

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