The Benzeneacetyl chloride,2,4-dichloro-, with CAS registry number 53056-20-5, has the systematic name of (2,4-dichlorophenyl)acetyl chloride. Besides this, it is also called 2-(2,4-dichlorophenoxy)ethanoyl chloride. And the chemical formula of this chemical is C8H5Cl3O.
Physical properties of Benzeneacetyl chloride,2,4-dichloro-: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 240.77; (6)ACD/BCF (pH 7.4): 240.77; (7)ACD/KOC (pH 5.5): 1763.41; (8)ACD/KOC (pH 7.4): 1763.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.47 cm3; (15)Molar Volume: 154.6 cm3; (16)Polarizability: 20×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.445 g/cm3; (19)Flash Point: 119.7 °C; (20)Enthalpy of Vaporization: 52.59 kJ/mol; (21)Boiling Point: 286.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1CC(Cl)=O
(2)InChI: InChI=1/C8H5Cl3O/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2
(3)InChIKey: RYXAJKPGHHNCSO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H5Cl3O/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2
(5)Std. InChIKey: RYXAJKPGHHNCSO-UHFFFAOYSA-N
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