4-Butoxy-2-chloro-1-nitrobenzene (5391-56-0)

The CAS register number of 4-Butoxy-2-chloro-1-nitrobenzene is 5391-56-0. The systematic name about this chemical is 4-butoxy-2-chloro-1-nitro-benzene. The molecular formula about this chemical is C₁₀H₁₂ClNO₃ and molecular weight is 229.66.

Physical properties about 4-Butoxy-2-chloro-1-nitrobenzene are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 4.32; (3)ACD/LogD (pH 7.4): 4.32; (4)ACD/BCF (pH 5.5): 1130.182; (5)ACD/BCF (pH 7.4): 1130.182; (6)ACD/KOC (pH 5.5): 5333.876; (7)ACD/KOC (pH 7.4): 5333.876; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.05Ų; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 58.271 cm³; (13)Molar Volume: 186.748 cm³; (14)Polarizability: 23.1x10^-24cm³; (15)Surface Tension: 41.732 dyne/cm; (16)Enthalpy of Vaporization: 56.084 kJ/mol; (17)Boiling Point: 340.408 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C10H12ClNO3/c1-2-3-6-15-8-4-5-10(12(13)14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
(3)InChIKey: ZODFFRWPRHUSMK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H12ClNO3/c1-2-3-6-15-8-4-5-10(12(13)14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
(5)Std. InChIKey: ZODFFRWPRHUSMK-UHFFFAOYSA-N