2-Chloro-3-phenylpyrazine (41270-65-9)

With the CAS registry number 41270-65-9, the IUPAC name of 2-Chloro-3-phenylpyrazine is 2-chloro-3-phenylpyrazine. In addition, its molecular formula is C₁₀H₇ClN₂ and its molecular weight is 190.63.

The other characteristics of 2-Chloro-3-phenylpyrazine can be summarized as: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 0; (5)Freely Rotating Bonds: 1; (6)XLogP3-AA: 2.4; (7)Rotatable Bond Count: 1; (8)Exact Mass: 190.029776; (9)MonoIsotopic Mass: 190.029776; (10)Topological Polar Surface Area: 25.8; (11)Heavy Atom Count: 13; (12)Complexity: 157; (13)Polar Surface Area: 25.78 Å²; (14)Index of Refraction: 1.593; (15)Molar Refractivity: 51.92 cm³; (16)Molar Volume: 153.1 cm³; (17)Polarizability: 20.58×10^-24cm³; (18)Surface Tension: 48.8 dyne/cm; (19)Density: 1.245 g/cm³; (20)Flash Point: 150.3 °C; (21)Enthalpy of Vaporization: 49.84 kJ/mol; (22)Boiling Point: 280.5 °C at 760 mmHg; (23)Vapour Pressure: 0.0064 mmHg at 25 °C; (24) Melting point: 60-62 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc2nccnc2c1ccccc1
(2)InChI:InChI=1/C10H7ClN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey:CAPLTXKTKMPKED-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C10H7ClN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey:CAPLTXKTKMPKED-UHFFFAOYSA-N