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78686-86-9

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Basic Information
CAS No.: 78686-86-9
Name: 5-BROMO-2-CHLORO-3-PYRIDINECARBONYL CHLORIDE
Article Data: 15
Molecular Structure:
Molecular Structure of 78686-86-9 (5-BROMO-2-CHLORO-3-PYRIDINECARBONYL CHLORIDE)
Formula: C6H2BrCl2NO
Molecular Weight: 254.898
Synonyms: 5-Bromo-2-chloronicotinoyl chloride;
Density: 1.858 g/cm3
Boiling Point: 297.008 °C at 760 mmHg
Flash Point: 133.426 °C
PSA: 29.96000
LogP: 2.87650
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Specification

The 3-Pyridinecarbonylchloride, 5-bromo-2-chloro-, with the CAS registry number 78686-86-9, is also known as 5-Bromo-2-chloronicotinoyl chloride. This chemical's molecular formula is C6H2BrCl2NO and molecular weight is 254.8962. What's more, its systematic name is called 5-Bromo-2-chloropyridine-3-carbonyl chloride.

Physical properties about 3-Pyridinecarbonylchloride, 5-bromo-2-chloro- are: (1)ACD/LogP: 1.94; (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): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 344; (8)ACD/KOC (pH 7.4): 344; (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: 1.604; (14)Molar Refractivity: 47.174 cm3; (15)Molar Volume: 137.201 cm3; (16)Polarizability: 18.701×10-24 cm3; (17)Surface Tension: 53.826 dyne/cm; (18)Density: 1.858 g/cm3; (19)Flash Point: 133.426 °C; (20)Enthalpy of Vaporization: 53.683 kJ/mol; (21)Boiling Point: 297.008 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)c1cc(Br)cnc1Cl
(2) InChI: InChI=1/C6H2BrCl2NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
(3) InChIKey: ZXLONDRTSKAJOQ-UHFFFAOYAJ