The IUPAC name of this product is (2,4-Dichloropyridin-3-yl)-phenylmethanone, and its CAS registry number is 134031-25-7. It is also named as (2,4-Dichloro-3-pyridinyl)(phenyl)methanone.This chemical's molecular formula is C12H7Cl2NO and molecular weight is 252.0961.
Physical properties about (2,4-Dichloropyridin-3-yl)(phenyl)methanone are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.96 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 63.92 cm3; (11)Molar Volume: 184.6 cm3; (12)Polarizability: 25.34×10-24 cm3; (13)Surface Tension: 50.7 dyne/cm; (14)Density: 1.365 g/cm3; (15)Flash Point: 184.7 °C; (16)Enthalpy of Vaporization: 63.01 kJ/mol; (17)Boiling Point: 381.7 °C at 760 mmHg; (18)Vapour Pressure: 4.96E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(=O)c2c(ccnc2Cl)Cl
(2) InChI: InChI=1/C12H7Cl2NO/c13-9-6-7-15-12(14)10(9)11(16)8-4-2-1-3-5-8/h1-7H
(3) InChIKey: MXMUPWBBSLEKBP-UHFFFAOYAC
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