Benzoic acid,4-chloro-3-methyl-, methyl ester (91367-05-4)

The Methyl 4-chloro-3-methylbenzoate with the cas number 91367-05-4 is also called Benzoic acid,4-chloro-3-methyl-, methyl ester. Its molecular formula is C₉H₉ClO₂. This chemical belongs to the following product categories: (1)Aromatic Esters; (2)Benzoic acid; (3)Acids & Esters; (4)Chlorine Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 165.21; (6)ACD/BCF (pH 7.4): 165.21; (7)ACD/KOC (pH 5.5): 1346.71; (8)ACD/KOC (pH 7.4): 1346.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 47.74 cm³; (15)Molar Volume: 155.5 cm³; (16)Polarizability: 18.92×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 48.41 kJ/mol; (19)Vapour Pressure: 0.0263 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(=O)OC)cc1C
(2)InChI: InChI=1/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
(3)InChIKey: QOTGNXMPQNGYDM-UHFFFAOYAD