The 1-(5-Bromo-4-chlorothiophen-2-yl)ethanone, with CAS registry number 123418-66-6, has the systematic name of 1-(5-bromo-4-chloro-2-thienyl)ethanone. Besides this, it is also called 3-chloro-2-bromo-5-acetylthiophene. And the chemical formula of this chemical is C6H4BrClOS.
Physical properties of 1-(5-Bromo-4-chlorothiophen-2-yl)ethanone: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.963; (4)ACD/LogD (pH 7.4): 2.963; (5)ACD/BCF (pH 5.5): 105.102; (6)ACD/BCF (pH 7.4): 105.102; (7)ACD/KOC (pH 5.5): 974.272; (8)ACD/KOC (pH 7.4): 974.272; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 47.25 cm3; (15)Molar Volume: 138.579 cm3; (16)Polarizability: 18.732×10-24cm3; (17)Surface Tension: 46.553 dyne/cm; (18)Enthalpy of Vaporization: 56.549 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cc(c(s1)Br)Cl
(2)InChI: InChI=1/C6H4BrClOS/c1-3(9)5-2-4(8)6(7)10-5/h2H,1H3
(3)InChIKey: FSZXWJHCTQQQGZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H4BrClOS/c1-3(9)5-2-4(8)6(7)10-5/h2H,1H3
(5)Std. InChIKey: FSZXWJHCTQQQGZ-UHFFFAOYSA-N
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