The Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate, with its CAS registry number 27143-07-3, has other names as Chloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester.
The characteristics of this chemical are as below: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 151; (6)ACD/BCF (pH 7.4): 151; (7)ACD/KOC (pH 5.5): 1261; (8)ACD/KOC (pH 7.4): 1261; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.92; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 64.659 cm3; (15)Molar Volume: 208.488 cm3; (16)Polarizability: 25.633 ×10-24 cm3; (17)Surface Tension: 39.176 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 164.842 °C; (20)Enthalpy of Vaporization: 59.339 kJ/mol; (21)Boiling Point: 348.955 °C at 760 mmHg.
Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:COc1ccc(N\N=C(\Cl)C(=O)OCC)cc1
(2)InChI:InChI=1/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3
(3)InChIKey:ATNPZEGMKLGIFA-UHFFFAOYAJ
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