Pigment Yellow 98 (32432-45-4)

The Pigment Yellow 98 with the cas number 32432-45-4 is also called Butanamide,N-(4-chloro-2-methylphenyl)-2-[2-(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-. The IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide. Its EINECS registry number is 251-038-1. The molecular formula is C₁₇H₁₄Cl₂N₄O₄. The product's category is Organics.

The properties of the chemical are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 3604.93; (6)ACD/BCF (pH 7.4): 231.27; (7)ACD/KOC (pH 5.5): 5536.95; (8)ACD/KOC (pH 7.4): 355.22; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 107.92 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 101.15 cm³; (15)Molar Volume: 280 cm³; (16)Polarizability: 40.09×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Enthalpy of Vaporization: 84.13 kJ/mol; (19)Vapour Pressure: 1.57×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(NC(=O)C(/N=N/c1ccc(Cl)cc1[N+]([O-])=O)C(=O)C)cc2)C
(2)InChI: InChI=1/C17H14Cl2N4O4/c1-9-7-11(18)3-5-13(9)20-17(25)16(10(2)24)22-21-14-6-4-12(19)8-15(14)23(26)27/h3-8,16H,1-2H3,(H,20,25)/b22-21+
(3)InChIKey: WLFKZMHSYFTYSW-QURGRASLBD