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127561-71-1

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Basic Information
CAS No.: 127561-71-1
Name: 2-Bromo-3-Methoxy-5-Chloropyridine
Article Data: 4
Molecular Structure:
Molecular Structure of 127561-71-1 (2-Bromo-3-Methoxy-5-Chloropyridine)
Formula: C6H5BrClNO
Molecular Weight: 222.469
Synonyms: 2-Bromo-5-chloro-3-methoxypyridine;
Density: 1.65 g/cm3
Boiling Point: 254.2 °C at 760 mmHg
Flash Point: 107.5 °C
PSA: 22.12000
LogP: 2.50610
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Specification

The Pyridine,2-bromo-5-chloro-3-methoxy-, with CAS registry number 127561-71-1, belongs to the following product category: Pyridine. It has the systematic name of 2-bromo-5-chloro-3-methoxypyridine. Besides this, it is also called 2-Bromo-3-Methoxy-5-Chloropyridine. And the chemical formula of this chemical is C6H5BrClNO.

Physical properties of Pyridine,2-bromo-5-chloro-3-methoxy-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.67; (6)ACD/BCF (pH 7.4): 65.67; (7)ACD/KOC (pH 5.5): 695.8; (8)ACD/KOC (pH 7.4): 695.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.6 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 17.28×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.65 g/cm3; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 47.18 kJ/mol; (21)Boiling Point: 254.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0279 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(Cl)cnc1Br
(2)InChI: InChI=1/C6H5BrClNO/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,1H3
(3)InChIKey: WEQNSONLVQEQGQ-UHFFFAOYAP