This chemical is called 3'-Methoxybiphenyl-4-sulfonyl chloride, and its CAS registry number is 186550-26-5. With the molecular formula of C13H11ClO3S, its molecular weight is 282.74.
Other characteristics of the 3'-Methoxybiphenyl-4-sulfonyl chloride can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 604; (6)ACD/BCF (pH 7.4): 604; (7)ACD/KOC (pH 5.5): 3407; (8)ACD/KOC (pH 7.4): 3407; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 71.472 cm3; (15)Molar Volume: 215.376 cm3; (16)Polarizability: 28.334×10-24cm3; (17)Surface Tension: 43.418 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 197.508 °C; (20)Enthalpy of Vaporization: 62.872 kJ/mol; (21)Boiling Point: 402.968 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClS(=O)(=O)c2ccc(c1cc(OC)ccc1)cc2
2.InChI: InChI=1/C13H11ClO3S/c1-17-12-4-2-3-11(9-12)10-5-7-13(8-6-10)18(14,15)16/h2-9H,1H3
3.InChIKey: DVQBUJTYQXKLKZ-UHFFFAOYAV
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