3-Chloro-5-iodobenzonitrile (289039-30-1)

The 3-Chloro-5-iodobenzonitrile, with the CAS registry number 289039-30-1, has the systematic name of 3-chloro-5-iodo-benzonitrile. It belongs to the following product categories: Chlorine Compounds; Iodine Compounds; Nitriles. And the molecular formula of the chemical is C₇H₃ClIN.

The characteristics of 3-Chloro-5-iodobenzonitrile are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99 ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 23.79 Å²; (9)Index of Refraction: 1.672; (10)Molar Refractivity: 49.07 cm³; (11)Molar Volume: 130.9 cm³; (12)Polarizability: 19.45×10^-24cm³; (13)Surface Tension: 59.7 dyne/cm; (14)Density: 2.01 g/cm³; (15)Flash Point: 120.3 °C; (16)Enthalpy of Vaporization: 51.38 kJ/mol; (17)Boiling Point: 275.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00511 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cc(cc1Cl)I)C#N
(2)InChI: InChI=1/C7H3ClIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
(3)InChIKey: MOXWXOASLNWUAJ-UHFFFAOYAY