Benzeneacetic acid,4-chloro-a-oxo-, ethyl ester (34966-48-8)

The Ethyl 4-chlorobenzoylformate with cas registry number of 34966-48-8 is also known as (4-Chlorophenyl)glyoxylic acid ethyl ester with systematic name of ethyl (4-chlorophenyl)(oxo)acetate. And its IUPAC name is called ethyl 2-(4-chlorophenyl)-2-oxoacetate.

The physical properties about this chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.37; (6)ACD/BCF (pH 7.4): 52.37; (7)ACD/KOC (pH 5.5): 591.74; (8)ACD/KOC (pH 7.4): 591.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 52.21 cm³; (14)Molar Volume: 169.4 cm³; (15)Surface Tension: 42.5 dyne/cm; (16)Density: 1.255 g/cm³; (17)Flash Point: 129 °C; (18)Enthalpy of Vaporization: 54.55 kJ/mol; (19)Boiling Point: 305.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000837 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(=O)OCC;
(2)InChI: InChI=1/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3;
(3)InChIKey: BIELZWDKOJZMOG-UHFFFAOYAX