CAS No.412018-50-9,1-(2,6-Dichloropyridin-3-yl)ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	412018-50-9
Name:	1-(2,6-Dichloropyridin-3-yl)ethanone
Article Data:	5

Formula:	C₇H₅C_l2NO
Molecular Weight:	190.029
Synonyms:	1-(2,6-dichloropyridin-3-yl)ethanone;
Density:	1.376 g/cm³
Boiling Point:	286.732 °C at 760 mmHg
Flash Point:	127.211 °C
PSA:	29.96000
LogP:	2.59100

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Specification

The IUPAC name of this chemical is 1-(2,6-Dichloropyridin-3-yl)ethanone. With the CAS registry number of 412018-50-9, it is also called Ethanone,1-(2,6-dichloro-3-pyridinyl)-. In addition, the formula is C₇H₅Cl₂NO.

Physical properties about 1-(2,6-Dichloropyridin-3-yl)ethanone are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.792; (4)ACD/LogD (pH 7.4): 1.792; (5)ACD/BCF (pH 5.5): 13.545; (6)ACD/BCF (pH 7.4): 13.545; (7)ACD/KOC (pH 5.5): 224.78; (8)ACD/KOC (pH 7.4): 224.78; (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: 1.553; (14)Molar Refractivity: 44.162 cm³; (15)Molar Volume: 138.089 cm³; (16)Polarizability: 17.507×10^-24cm³; (17)Surface Tension: 45.347 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 127.211 °C; (20)Enthalpy of Vaporization: 52.586 kJ/mol; (21)Boiling Point: 286.732 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(=O)c1ccc(nc1Cl)Cl
(2)InChI:InChI=1/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
(3)InChIKey:XOEFQKGFPDZVKF-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
(5)Std. InChIKey:XOEFQKGFPDZVKF-UHFFFAOYSA-N