This chemical is called Quinazoline,2,4-dichloro-6-nitro, and its systematic name is 2,4-Dichloro-6-nitro-quinazoline. With the molecular formula of C8H3Cl2N3O2, its molecular weight is 244.03. The CAS registry number of this chemical is 74173-77-6.
Other characteristics of the Quinazoline,2,4-dichloro-6-nitro can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.77; (6)ACD/BCF (pH 7.4): 44.77; (7)ACD/KOC (pH 5.5): 528.89; (8)ACD/KOC (pH 7.4): 528.89; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 56.61 cm3; (15)Molar Volume: 145.7 cm3; (16)Polarizability: 22.44×10-24cm3; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.674 g/cm3; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 50.32 kJ/mol; (21)Boiling Point: 285.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00488 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(cc1N(=O)=O)c(nc(n2)Cl)Cl
2.InChI: InChI=1/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H
3.InChIKey: HGHPXBLOAQXDCO-UHFFFAOYAR
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