The Benzene, 2-chloro-1, 3-dimethyl-5-nitro-, with the CAS registry number 38560-96-2, is also known as 1-Chloro-2, 6-dimethyl-4-nitrobenzene. This chemical's molecular formula is C8H8ClNO2 and molecular weight is 185.61. What's more, its IUPAC name is 2-Chloro-1, 3-dimethyl-5-nitrobenzene.
Physical properties about Benzene, 2-chloro-1, 3-dimethyl-5-nitro- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 47.343 cm3; (9)Molar Volume: 145.776 cm3; (10)Polarizability: 18.768×10-24 cm3; (11)Surface Tension: 43.286 dyne/cm; (12)Density: 1.273 g/cm3; (13)Flash Point: 125.408 °C; (14)Enthalpy of Vaporization: 50.171 kJ/mol; (15)Boiling Point: 283.751 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cc([N+]([O-])=O)cc1C)C
(2) InChI: InChI=1/C8H8ClNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
(3) InChIKey: XOTLSEJRAUKAPO-UHFFFAOYAD
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