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The Pigment Yellow 63, with the CAS registry number 14569-54-1, is also known as 2-[2-Chloro-4-[3-chloro-4-[1-[(2-chlorophenyl)amino]-1,3-dioxobutan-2-yl]diazenylphenyl]phenyl]diazenyl-N-(2-chlorophenyl)-3-oxobutanamide. It belongs to the product category of Organics. Its EINECS number is 238-611-1. This chemical's molecular formula is C32H24Cl4N6O4 and molecular weight is 698.38. What's more, its systematic name is 2,2'-[(3,3'-Dichloro-4,4'-biphenyldiyl)di-2,1-diazenediyl]bis[N-(2-chlorophenyl)-3-oxobutanamide].
Physical properties of Pigment Yellow 63 are: (1)ACD/LogP: 7.714; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.26; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 150943.30; (6)ACD/BCF (pH 7.4): 274.17; (7)ACD/KOC (pH 5.5): 131718.40; (8)ACD/KOC (pH 7.4): 239.25; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 141.78 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 179.598 cm3; (15)Molar Volume: 485.32 cm3; (16)Polarizability: 71.198×10-24cm3; (17)Surface Tension: 53.46 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 453.674 °C; (20)Enthalpy of Vaporization: 120.12 kJ/mol; (21)Boiling Point: 826.539 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3Cl)c(Cl)c4
(2)Std. InChI: InChI=1S/C32H24Cl4N6O4/c1-17(43)29(31(45)37-25-9-5-3-7-21(25)33)41-39-27-13-11-19(15-23(27)35)20-12-14-28(24(36)16-20)40-42-30(18(2)44)32(46)38-26-10-6-4-8-22(26)34/h3-16,29-30H,1-2H3,(H,37,45)(H,38,46)
(3)Std. InChIKey: KPSPKGJSHVSNQT-UHFFFAOYSA-N