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Basic Information
CAS No.: 13122-34-4
Name: CHLOROBENZENE-4-D1
Article Data: 11
Molecular Structure:
Molecular Structure of 13122-34-4 (CHLOROBENZENE-4-D1)
Formula: C6H4ClD
Molecular Weight: 113.551
Synonyms: Chlorobenzene-4-d;
Density: 1.12 g/cm3
Boiling Point: 131.7 °C at 760 mmHg
Flash Point: 23.9 °C
PSA: 0.00000
LogP: 2.34000
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Specification

This chemical is called Chlorobenzene-4-D1, and it can also be named as benzene-d, 4-chloro-. With the molecular formula of C6H4ClD, its molecular weight is 113.56. The CAS registry number of this chemical is 13122-34-4.

Other characteristics of the Chlorobenzene-4-D1 can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.94; (6)ACD/BCF (pH 7.4): 80.94; (7)ACD/KOC (pH 5.5): 808.1; (8)ACD/KOC (pH 7.4): 808.1; (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: 1.526; (14)Molar Refractivity: 31.14 cm3; (15)Molar Volume: 101.3 cm3; (16)Polarizability: 12.34×10-24cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 23.9 °C; (20)Enthalpy of Vaporization: 35.19 kJ/mol; (21)Boiling Point: 131.7 °C at 760 mmHg; (22)Vapour Pressure: 11.2 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c1ccc(Cl)cc1
2.InChI: InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D
3.InChIKey: MVPPADPHJFYWMZ-MICDWDOJEH