2-phenoxypyrimidine-5-carbaldehyde

• ChemBase ID: 803589
• Molecular Formular: C11H8N2O2
• Molecular Mass: 200.19342
• Monoisotopic Mass: 200.05857751
• SMILES: c1(cnc(nc1)Oc1ccccc1)C=O
• Canonical SMILES: O=Cc1cnc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H8N2O2/c14-8-9-6-12-11(13-7-9)15-10-4-2-1-3-5-10/h1-8H
• InChIKey: IMIDXRYOZBVWGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyrimidine-5-carbaldehyde
• IUPAC Traditional name: 2-phenoxypyrimidine-5-carbaldehyde
• Synonyms: 2-PHENOXYPYRIMIDINE-5-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9413109
• LogD (pH = 7.4): 1.941311
• Log P: 1.941311
• Molar Refractivity: 55.4931 cm^3
• Polarizability: 20.7757 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%