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191104-26-4

Basic Information
CAS No.: 191104-26-4
Name: 3-VINYL-5-BROMO-PYRIDINE
Molecular Structure:
Molecular Structure of 191104-26-4 (3-VINYL-5-BROMO-PYRIDINE)
Formula: C7H6BrN
Molecular Weight: 184.03
Synonyms: 3-Bromo-5-ethenylpyridine;
Density: 1.475 g/cm3
Boiling Point: 217.136 ºC at 760 mmHg
Flash Point: 85.121 ºC
PSA: 12.89000
LogP: 2.48710
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Specification

The 3-Vinyl-5-bromopyridine, with its CAS registry number 191104-26-4, has the systematic name of 3-bromo-5-ethenylpyridine. And it has the chemical formula of C7H6BrN and the molecular weight of 184.03.

The characteristics of 3-Vinyl-5-bromopyridine are as below: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 50; (6)ACD/BCF (pH 7.4): 50; (7)ACD/KOC (pH 5.5): 576; (8)ACD/KOC (pH 7.4): 576; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 ; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 42.958 cm3; (15)Molar Volume: 124.79 cm3; (16)Polarizability: 17.03×10-24 cm3; (17)Surface Tension: 41.58 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 85.121 °C; (20)Enthalpy of Vaporization: 43.503 kJ/mol; (21)Boiling Point: 217.136 °C at 760 mmHg; (22)Vapour Pressure: 0.198 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:C=Cc1cncc(Br)c1CopyCopied
(2)InChI:InChI=1/C7H6BrN/c1-2-6-3-7(8)5-9-4-6/h2-5H,1H2 CopyCopied
(3)InChIKey:ZPDPNVDWYSQHOT-UHFFFAOYAC