The IUPAC name of Pigment Yellow 73 is 2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide. With the CAS registry number 13515-40-7, it is also named as Butanamide, 2-((4-chloro-2-nitrophenyl)azo)-N-(2-methoxyphenyl)-3-oxo-. The product's category is Organics, and the other registry numbers are 12225-12-6; 477904-37-3. In addition, its molecular formula is C17H15ClN4O5 and molecular weight is 390.78.
The other characteristics of Pigment Yellow 73 can be summarized as: (1)EINECS: 236-852-7; (2)ACD/LogP: 5.05; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 4.03; (5)ACD/LogD (pH 7.4): 2.7; (6)ACD/BCF (pH 5.5): 387.63; (7)ACD/BCF (pH 7.4): 17.98; (8)ACD/KOC (pH 5.5): 1274.36; (9)ACD/KOC (pH 7.4): 59.11; (10)#H bond acceptors: 9; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 117.15 Å2; (14)Index of Refraction: 1.624; (15)Molar Refractivity: 97.94 cm3; (16)Molar Volume: 277.2 cm3; (17)Polarizability: 38.82×10-24cm3; (18)Surface Tension: 53.5 dyne/cm; (19)Density: 1.4 g/cm3; (20)Flash Point: 283.7 °C; (21)Enthalpy of Vaporization: 82.43 kJ/mol; (22)Boiling Point: 545.5 °C at 760 mmHg; (23)Vapour Pressure: 5.9E-12 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2cc(c(/N=N/C(C(=O)C)C(=O)Nc1ccccc1OC)cc2)[N+]([O-])=O
(2)InChI: InChI=1/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)/b21-20+
(3)InChIKey: QPHCXDDGQQLPIM-QZQOTICOBF
(4)Std. InChI: InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)/b21-20+
(5)Std. InChIKey: QPHCXDDGQQLPIM-QZQOTICOSA-N
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