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152356-57-5

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Basic Information
CAS No.: 152356-57-5
Name: 1-(6-Chloropyridin-2-yl)ethanone
Article Data: 3
Molecular Structure:
Molecular Structure of 152356-57-5 (1-(6-Chloropyridin-2-yl)ethanone)
Formula: C7H6ClNO
Molecular Weight: 155.58164
Synonyms: Ethanone, 1-(6-chloro-2-pyridinyl)-;
Density: 1.233 g/cm3
Boiling Point: 249.931 °C at 760 mmHg
Flash Point: 104.955 °C
PSA: 29.96000
LogP: 1.93760
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Specification

The systematic name of 1-(6-Chloropyridin-2-yl)ethanone is 1-(6-chloropyridin-2-yl)ethanone. With the CAS registry number 152356-57-5, it is also named as Ethanone, 1-(6-chloro-2-pyridinyl)-. In addition, its molecular formula is C7H6ClNO and molecular weight is 155.58164.

The other characteristics of 1-(6-Chloropyridin-2-yl)ethanone can be summarized as: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 224; (8)ACD/KOC (pH 7.4): 224; (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: 1.535; (14)Molar Refractivity: 39.267 cm3; (15)Molar Volume: 126.138 cm3; (16)Polarizability: 15.567×10-24cm3; (17)Surface Tension: 42.716 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 104.955 °C; (20)Enthalpy of Vaporization: 48.718 kJ/mol; (21)Boiling Point: 249.931 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1nc(Cl)ccc1)C
(2)InChI:InChI=1/C7H6ClNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3
(3)InChIKey:KFBYRBFYHOJYTG-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C7H6ClNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3
(5)Std. InChIKey:KFBYRBFYHOJYTG-UHFFFAOYSA-N