The 2-Bromo-6-cyanopyrazine, with the CAS registry number 859064-02-1, has the systematic name of 6-Bromopyrazine-2-carbonitrile. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C5H2BrN3.
The characteristics of 2-Bromo-6-cyanopyrazine are as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 51.55; (8)ACD/KOC (pH 7.4): 51.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.57 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 34.63 cm3; (15)Molar Volume: 98.9 cm3; (16)Polarizability: 13.73×10-24cm3; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 48.91 kJ/mol; (21)Boiling Point: 251.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0201 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(nc(cn1)Br)C#N
(2)InChI: InChI=1/C5H2BrN3/c6-5-3-8-2-4(1-7)9-5/h2-3H
(3)InChIKey: QCDKRPNGGXLBOQ-UHFFFAOYAK
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