UCSF

ZINC01707954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 No

Popular Name: 4-Chloro-3,5-dinitrobenzoic acid 4-Chloro-3,5-dinitrobenzoic acid

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CAS Numbers: 118-97-8 , [118-97-8]

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) 2.30 1.63 -33.41 0 8 -1 131 245.554 3 ↓

Vendor Notes

Note Type Comments Provided By
M.P 159-162 °C Indofine
Melting_Point 159-162? Alfa-Aesar
Melting_Point 159-162° Alfa-Aesar
MP 160 TCI
Boiling_Point 315? Alfa-Aesar
Boiling_Point 315° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% APIChem
Warnings IRRITANT Matrix Scientific

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