The Phthalazine, 1,4-bis(4-methoxyphenyl)-, with CAS registry number of 5441-28-1, is also known as NSC21269. Its IUPAC name is 1,4-Bis(4-methoxyphenyl)phthalazine. Its molecular formula is C22H18N2O2, and molecular weight is 342.3905.
Physical properties about this chemical are: (1) ACD/LogP: 3.51; (2) # of Rule of 5 Violations: 0; (3) # H bond acceptors: 4; (4) # H bond donors: 0; (5) # Freely Rotating Bonds: 4; (6) Polar Surface Area: 44.24 Å2; (7) Index of Refraction: 1.631; (8) Molar Refractivity: 102.81 cm3; (9) Molar Volume: 288.5 cm3; (10) Polarizability: 40.76×10-24 cm3; (11) Surface Tension: 47.9 dyne/cm; (12) Density: 1.186 g/cm3; (13) Flash Point: 193.2 °C; (14) Enthalpy of Vaporization: 80.02 kJ/mol; (15) Boiling Point: 551 °C at 760 mmHg; (16) Vapour Pressure: 1.26E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)c3nnc(c2c3cccc2)c4ccc(OC)cc4)C
(2) InChI: InChI=1/C22H18N2O2/c1-25-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(24-23-21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3
(3) InChIKey: SXWJXIUDVYZJFA-UHFFFAOYAD
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