1(3H)-Isobenzofuranone,7-chloro- (70097-45-9)

The 7-Chlorophthalide, with cas registry number 70097-45-9, belongs to the following product categories: (1)Acids and Derivatives; (2)Heterocycles; (3)API intermediates. It has the systematic name of 7-chloro-2-benzofuran-1(3H)-one. And its IUPAC name is 7-chloro-3H-2-benzofuran-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 40.44 cm³; (9)Molar Volume: 118 cm³; (10)Polarizability: 16.03×10^-24cm³; (11)Surface Tension: 50.8 dyne/cm; (12)Enthalpy of Vaporization: 60.97 kJ/mol; (13)Vapour Pressure: 1.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cccc2c1C(=O)OC2
(2)InChI: InChI=1/C8H5ClO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
(3)InChIKey: LLKCTHJTJUDDMG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H5ClO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
(5)Std. InChIKey: LLKCTHJTJUDDMG-UHFFFAOYSA-N