Chemical Properties of Acetamide, 6(9h)-chloropurine-9-yl- (CAS 98273-93-9)

InChI

InChI=1S/C7H6ClN5O/c8-6-5-7(11-2-10-6)13(3-12-5)1-4(9)14/h2-3H,1H2,(H2,9,14)

InChI Key

IZJHJHPNRBSAAJ-UHFFFAOYSA-N

Formula

C7H6ClN5O

SMILES

NC(=O)Cn1cnc2c(Cl)ncnc21

Molecular Weight¹

211.61

CAS

98273-93-9

• 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).
• 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 Acetamide, 6(9h)-chloropurine-9-yl-.

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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