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185041-03-6

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Basic Information
CAS No.: 185041-03-6
Name: 1-(2-Chloro-4-iodopyridin-3-yl)ethanone
Article Data: 1
Molecular Structure:
Molecular Structure of 185041-03-6 (1-(2-Chloro-4-iodopyridin-3-yl)ethanone)
Formula: C7H5ClINO
Molecular Weight: 281.48
Synonyms: Ethanone, 1-(2-chloro-4-iodo-3-pyridinyl)-;
Density: 1.899 g/cm3
Boiling Point: 310.994 °C at 760 mmHg
Flash Point: 141.885 °C
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Specification

This product is an organic compound with the formula C7H5ClINO. The systematic name of this chemical is 1-(2-Chloro-4-iodopyridin-3-yl)ethanone. With the CAS registry number 185041-03-6, it is also named as Ethanone, 1-(2-chloro-4-iodo-3-pyridinyl)-. In addition, the molecular weight is 281.48.

Physical properties of 1-(2-Chloro-4-iodopyridin-3-yl)ethanone are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 97; (8)ACD/KOC (pH 7.4): 97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.174 cm3; (15)Molar Volume: 148.211 cm3; (16)Polarizability: 20.683×10-24cm3; (17)Surface Tension: 52.043 dyne/cm; (18)Density: 1.899 g/cm3; (19)Flash Point: 141.885 °C; (20)Enthalpy of Vaporization: 55.187 kJ/mol; (21)Boiling Point: 310.994 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(I)ccnc1Cl)C
(2)InChI: InChI=1S/C7H5ClINO/c1-4(11)6-5(9)2-3-10-7(6)8/h2-3H,1H3
(3)InChIKey: KUMSNRYEXIFBFY-UHFFFAOYSA-N