4,6-dichloro-2-ethoxypyrimidine

• ChemBase ID: 288475
• Molecular Formular: C6H6Cl2N2O
• Molecular Mass: 193.03064
• Monoisotopic Mass: 191.98571818
• SMILES: Clc1cc(Cl)nc(OCC)n1
• Canonical SMILES: CCOc1nc(Cl)cc(n1)Cl
• InChI: InChI=1S/C6H6Cl2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
• InChIKey: CVMAOIALLIBNNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-ethoxypyrimidine
• IUPAC Traditional name: 4,6-dichloro-2-ethoxypyrimidine
• Synonyms: 2-Ethoxy-4,6-dichloropyrimidine

Database IDs

• CAS Number: 40758-65-4
• PubChem SID: 180674006
• PubChem CID: 9837015

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5761018
• LogD (pH = 7.4): 2.5761018
• Log P: 2.5761018
• Molar Refractivity: 45.6123 cm^3
• Polarizability: 16.928205 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%