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159996-13-1

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Basic Information
CAS No.: 159996-13-1
Name: 2-(Chloromethyl)-4-ethoxypyridine
Article Data: 1
Molecular Structure:
Molecular Structure of 159996-13-1 (2-(Chloromethyl)-4-ethoxypyridine)
Formula: C8H10ClNO
Molecular Weight: 171.626
Synonyms: 2-(Chloromethyl)-4-ethoxy-pyridine;
Density: 1.137 g/cm3
Boiling Point: 256 °C at 760 mmHg
Flash Point: 108.6 °C
PSA: 22.12000
LogP: 2.21910
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Specification

The 2-(Chloromethyl)-4-ethoxypyridine, with the CAS registry number 159996-13-1, is also known as 2-(Chloromethyl)-4-ethoxy-pyridine. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.62. Its systematic name is called 2-(chloromethyl)-4-ethoxy-pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.8; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.514; (9)Molar Refractivity: 45.42 cm3; (10)Molar Volume: 150.8 cm3; (11)Surface Tension: 37.4 dyne/cm; (12)Density: 1.137 g/cm3; (13)Flash Point: 108.6 °C; (14)Enthalpy of Vaporization: 47.36 kJ/mol; (15)Boiling Point: 256 °C at 760 mmHg; (16)Vapour Pressure: 0.0253 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccnc(c1)CCl
(2)InChI: InChI=1/C8H10ClNO/c1-2-11-8-3-4-10-7(5-8)6-9/h3-5H,2,6H2,1H3
(3)InChIKey: QXHKPITWPCZGSB-UHFFFAOYAC