Specification: |
The 4-(4-Chlorophenyl)-2-pyrrolidinone with the cas number 22518-27-0, is also called 4-(4-Chloro-phenyl)-pyrrolidin-2-one. The product can be supplied by the following suppliers: (1)Refine Chemicals Science and Technology Developing Co., Ltd.; (2)Beijing Smart Chemicals Co., Ltd.; (3)Link Chemicals Co.,Ltd.; (4)Hangzhou Sunny Chemical Co., Ltd.; (5)Nanjing Chemlin Chemical Co., Ltd.
The properties of the chemical are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.37; (6)ACD/BCF (pH 7.4): 2.37; (7)ACD/KOC (pH 5.5): 64.6; (8)ACD/KOC (pH 7.4): 64.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2 ; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 51.26 cm3; (15)Molar Volume: 157.3 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Enthalpy of Vaporization: 63.94 kJ/mol ; (19)Vapour Pressure: 2.74×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C2CC(=O)NC2
(2)InChI: InChI=1/C10H10ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
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