6-Chloro-n-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

• Catalog: OFC872510822
• CAS: 872510-82-2
• Category: Fluorinated Pyrimidines
• Synonyms: (6-chloro-pyrimidin-4-yl)-(3-trifluoromethyl-phenyl)-amine
• MDL Number: MFCD10000669

• IUPAC Name: 6-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
• InChI: InChI=1S/C11H7ClF3N3/c12-9-5-10(17-6-16-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H,(H,16,17,18)
• InChI Key: PWQVXSLCVWMYTA-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)NC2=CC(=NC=N2)Cl)C(F)(F)F
• EC Number: 806-784-8

• Molecular Formula: C11H7ClF3N3
• Molecular Weight: 273.64

• XLogP3-AA: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 273.0280594 g/mol
• Monoisotopic Mass: 273.0280594 g/mol
• Topological Polar Surface Area: 37.8Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 275