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867377-03-5

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Basic Information
CAS No.: 867377-03-5
Name: 2-Bromo-6-chloro-3-methylpyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 867377-03-5 (2-Bromo-6-chloro-3-methylpyridine)
Formula: C6H5BrClN
Molecular Weight: 206.469
Synonyms: 2-Bromo-6-chloro-3-methylpyridine
Density: 1.6±0.1 g/cm3
Melting Point: 48 °C
Boiling Point: 256.1±35.0 °C at 760 mmHg
Flash Point: 108.7±25.9 °C
PSA: 12.89000
LogP: 2.80590
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Specification

The 2-Bromo-6-chloro-3-methylpyridine, with the CAS registry number 867377-03-5, is also known as Pyridine, 2-bromo-6-chloro-3-methyl-. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is 2-Bromo-6-chloro-3-methylpyridine.

Physical properties of 2-Bromo-6-chloro-3-methylpyridine are: (1)ACD/LogP: 2.61±0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.93; (6)ACD/BCF (pH 7.4): 56.93; (7)ACD/KOC (pH 5.5): 628.22; (8)ACD/KOC (pH 7.4): 628.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.8±0.3 cm3; (15)Molar Volume: 127.1±3.0 cm3; (16)Polarizability: 16.6±0.5×10-24cm3; (17)Surface Tension: 43.0±3.0 dyne/cm; (18)Density: 1.6±0.1 g/cm3; (19)Flash Point: 108.7±25.9 °C; (20)Enthalpy of Vaporization: 47.4±3.0 kJ/mol; (21)Boiling Point: 256.1±35.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(nc1Br)Cl
(2)Std. InChI: InChI=1S/C6H5BrClN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3
(3)Std. InChIKey: VAUAZVCUPGVDPB-UHFFFAOYSA-N