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335642-99-4

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Basic Information
CAS No.: 335642-99-4
Name: 3-BROMO-4-(4'-CHLOROPHENYL)PYRIDINE
Molecular Structure:
Molecular Structure of 335642-99-4 (3-BROMO-4-(4'-CHLOROPHENYL)PYRIDINE)
Formula: C11H7BrClN
Molecular Weight: 268.54
Synonyms: 3-Bromo-4-(4-chlorophenyl)pyridine;3-Bromo-4-(4'-chlorophenyl)pyridine;
Density: 1.525 g/cm3
Boiling Point: 321.6 °C at 760 mmHg
Flash Point: 148.3 °C
Hazard Symbols: IrritantXi
PSA: 12.89000
LogP: 4.16450
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Specification

The Pyridine,3-bromo-4-(4-chlorophenyl)-, with the CAS registry number 335642-99-4, is also known as 3-Bromo-4-(4'-chlorophenyl)pyridine. This chemical's molecular formula is C11H7BrClN and molecular weight is 268.54. What's more, its systematic name is 3-bromo-4-(4-chlorophenyl)pyridine. 

Physical properties of Pyridine,3-bromo-4-(4-chlorophenyl)- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/BCF (pH 5.5): 625; (5)ACD/BCF (pH 7.4): 626; (6)ACD/KOC (pH 5.5): 3486; (7)ACD/KOC (pH 7.4): 3496; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.89 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 61.521 cm3; (14)Molar Volume: 176.077 cm3; (15)Surface Tension: 47.047 dyne/cm; (16)Density: 1.525 g/cm3; (17)Flash Point: 148.281 °C; (18)Enthalpy of Vaporization: 54.093 kJ/mol; (19)Boiling Point: 321.571 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cnccc2c1ccc(Cl)cc1
(2)InChI: InChI=1S/C11H7BrClN/c12-11-7-14-6-5-10(11)8-1-3-9(13)4-2-8/h1-7H
(3)InChIKey: JERVDTADAZZTBY-UHFFFAOYSA-N