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28104-31-6

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Basic Information
CAS No.: 28104-31-6
Name: 4-chloro-2-chloromethyl-5-methoxy-pyridine
Molecular Structure:
Molecular Structure of 28104-31-6 (4-chloro-2-chloromethyl-5-methoxy-pyridine)
Formula: C7H7Cl2NO
Molecular Weight: 192.0426
Synonyms: 4-chloro-2-chloromethyl-5-methoxy-pyridine;Pyridine, 4-chloro-2-(chloromethyl)-5-methoxy-
Density: 1.313 g/cm3
Boiling Point: 263.303 °C at 760 mmHg
Flash Point: 113.042 °C
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Specification

The systematic name of this chemical is 4-Chloro-2-(chloromethyl)-5-methoxypyridine. It has CAS registry number 28104-31-6. In addition, its molecular formula is C7H7Cl2NO and molecular weight is 192.0426.

Physical properties about the 4-Chloro-2-(chloromethyl)-5-methoxypyridine are: (1)ACD/LogP: 1.90; (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): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 211; (8)ACD/KOC (pH 7.4): 211; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 45.683 cm3; (15)Molar Volume: 146.305 cm3; (16)Surface Tension: 40.557 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 113.042 °C; (19)Enthalpy of Vaporization: 48.091 kJ/mol; (20)Boiling Point: 263.303 °C at 760 mmHg; (21)Vapour Pressure: 0.017 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(CCl)ncc1OC
(2) InChI: InChI=1/C7H7Cl2NO/c1-11-7-4-10-5(3-8)2-6(7)9/h2,4H,3H2,1H3
(3) InChIKey: CQDQTCHFBXWKCI-UHFFFAOYAN