2,2'-Bipyrimidine

• Catalog Number: ACM34671835-3
• Product Name: 2,2'-Bipyrimidine
• CAS: 34671-83-5
• Category: Pyrimidines
• Synonyms: 2-pyrimidin-2-ylpyrimidine; bpym
• IUPAC Name: 2-pyrimidin-2-ylpyrimidine
• Molecular Weight: 158.16
• Molecular Formula: C8H6N4
• Canonical SMILES: C1=CN=C(N=C1)C2=NC=CC=N2
• InChI: InChI=1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H
• InChI Key: HKOAFLAGUQUJQG-UHFFFAOYSA-N
• Boiling Point: 112-116 °C-lit.
• Melting Point: 112-116 °C-lit.
• Appearance: White solid
• Complexity: 111
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 252-137-2
• Exact Mass: 158.059246208g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 158.059246208g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 51.6Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 0.2