Benzoic acid,2-iodo-6-methyl-, methyl ester (103440-55-7)

The Methyl 2-iodo-6-methylbenzoate, with cas registry number 103440-55-7, belongs to the following product categories: Pharmaceutical intermediate. It has the systematic name of benzoic acid, 2-iodo-6-methyl-, methyl ester. Besides this, it is also called benzoic acid, 2-iodo-6-methyl-, methyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.59; (6)ACD/BCF (pH 7.4): 158.59; (7)ACD/KOC (pH 5.5): 1307.89; (8)ACD/KOC (pH 7.4): 1307.89; (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: 1.588; (14)Molar Refractivity: 55.75 cm³; (15)Molar Volume: 165.6 cm³; (16)Polarizability: 22.1×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 50.81 kJ/mol; (19)Vapour Pressure: 0.00705 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1cccc(c1C(=O)OC)I
(2)InChI: InChI=1/C9H9IO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
(3)InChIKey: QDKBSGNTMQAIHK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9IO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
(5)Std. InChIKey: QDKBSGNTMQAIHK-UHFFFAOYSA-N