1,3-Benzenedicarboxylicacid, 4-chloro- (2845-85-4)

The 4-Chloroisophthalic acid with its cas register number is 2845-85-4. It also can be called as 4-Chlorobenzene-1,3-dicarboxylic acid and the IUPAC Name about this chemical is 4-chlorobenzene-1,3-dicarboxylic acid.

Physical properties about 4-Chloroisophthalic acid are: (1)ACD/LogP: 1.97; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.6Ų; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 45 cm³; (12)Molar Volume: 126.4 cm³; (13)Polarizability: 17.84x10^-24cm³; (14)Surface Tension: 71.2 dyne/cm; (15)Enthalpy of Vaporization: 71.63 kJ/mol; (16)Vapour Pressure: 5.59E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)Cl
(2)InChI: InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: APLYBKHRTXFIBT-UHFFFAOYSA-N