2-chloro-4-ethoxypyrimidine

• ChemBase ID: 308973
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(nccc1OCC)Cl
• Canonical SMILES: CCOc1ccnc(n1)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-2-10-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
• InChIKey: PXTBPZQWBZWDFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-ethoxypyrimidine
• IUPAC Traditional name: 2-chloro-4-ethoxypyrimidine
• Synonyms: 2-chloro-4-ethoxypyrimidine

Database IDs

• CAS Number: 83774-09-8
• MDL Number: MFCD00234199

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7518773
• LogD (pH = 7.4): 1.7518799
• Log P: 1.75188
• Molar Refractivity: 39.7462 cm^3
• Polarizability: 14.957727 Å^3
• Polar Surface Area: 35.01 Å^2