Chemical Properties of Niflumic acid, hydroxy, bis-methylated

InChI

InChI=1S/C15H13F3N2O3/c1-22-12-6-5-9(8-11(12)15(16,17)18)20-13-10(14(21)23-2)4-3-7-19-13/h3-8H,1-2H3,(H,19,20)

InChI Key

RDYSEXJHOUBKCQ-UHFFFAOYSA-N

Formula

C15H13F3N2O3

SMILES

COC(=O)c1cccnc1Nc1ccc(OC)c(C(F)(F)F)c1

Molecular Weight¹

326.27

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Niflumic acid, hydroxy, bis-methylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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