UCSF

ZINC00056966

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 No

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

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CAS Numbers: 88-86-8 , 94593-91-6 , [88-86-8]

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) 2.68 0.96 -39.2 0 5 -1 85 235.002 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 218-222? Alfa-Aesar
Melting_Point 218-222° Alfa-Aesar
MP 224-226° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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