3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzaldehyde

• Catalog: OFC1216892828
• CAS: 1216892-82-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD11505008

• IUPAC Name: 3-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzaldehyde
• InChI: InChI=1S/C12H7F3N2O2/c13-12(14,15)10-4-5-16-11(17-10)19-9-3-1-2-8(6-9)7-18/h1-7H
• InChI Key: PJBVMOPJGAFBLU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)OC2=NC=CC(=N2)C(F)(F)F)C=O

• Molecular Formula: C12H7F3N2O2
• Molecular Weight: 268.19

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 268.04596196 g/mol
• Monoisotopic Mass: 268.04596196 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 312