Chlorobenzene-3,5-D2 (59164-10-2)

The Chlorobenzene-3,5-D2 with the CAS number 59164-10-2 is also called benzene-1,3-d₂, 5-chloro-. The systematic name is Chloro(3,5-²H₂)benzene. Its molecular formula is C₆H₃ClD₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.843; (4)ACD/LogD (pH 7.4): 2.843; (5)ACD/BCF (pH 5.5): 85.291; (6)ACD/BCF (pH 7.4): 85.291; (7)ACD/KOC (pH 5.5): 838.978; (8)ACD/KOC (pH 7.4): 838.978; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 31.148 cm³; (15)Molar Volume: 101.384 cm³; (16)Polarizability: 12.348×10^-24cm³; (17)Surface Tension: 33.081 dyne/cm; (18)Enthalpy of Vaporization: 35.19 kJ/mol; (19)Vapour Pressure: 11.234 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1cc(cc(c1)Cl)[2H]
(2)InChI: InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i2D,3D
(3)InChIKey: MVPPADPHJFYWMZ-PBNXXWCMEX