2-Pyrazinecarbonitrile,3-bromo-5-chloro- (440124-25-4)

The 3-Bromo-5-chloropyrazine-2-carbonitrile with the CAS number 440124-25-4 is also called 2-Pyrazinecarbonitrile,3-bromo-5-chloro-. Its molecular formula is C₅HBrClN₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.77; (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): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 160; (8)ACD/KOC (pH 7.4): 160; (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: 1.636; (14)Molar Refractivity: 39.466 cm³; (15)Molar Volume: 110.144 cm³; (16)Polarizability: 15.646×10^-24cm³; (17)Surface Tension: 82.862 dyne/cm; (18)Enthalpy of Vaporization: 54.956 kJ/mol ; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncc(Cl)nc1Br
(2)InChI: InChI=1/C5HBrClN3/c6-5-3(1-8)9-2-4(7)10-5/h2H
(3)InChIKey: LCRXVZUADRMZHU-UHFFFAOYAG