4-(2',6'-Dimethylphenoxy)phthalonitrile

• CAS: 221302-75-6
• Catalog Number: ACM221302756
• Category: Other Products
• Molecular Weight: 248.28g/mol
• Molecular Formula: C16H12N2O
• IUPAC Name: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
• Canonical SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
• InChI: InChI=1S/C16H12N2O/c1-11-4-3-5-12(2)16(11)19-15-7-6-13(9-17)14(8-15)10-18/h3-8H,1-2H3
• InChI Key: LJUVUOSWARAIBZ-UHFFFAOYSA-N
• Complexity: 392
• Covalently-Bonded Unit Count: 1
• Exact Mass: 248.094963g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 248.094963g/mol
• Rotatable Bond Count: 2
• XLogP3: 3.6