4-METHOXY-2-NITROBENZONITRILE

The IUPAC name of 4-Methoxy-2-nitrobenzonitrile is 4-Methoxy-2-nitrobenzonitrile. With the CAS registry number 38469-83-9, it is also named as Benzonitrile,4-methoxy-2-nitro-. The product's categories are Aromatic Nitriles; C8 to C9; Cyanides / Nitriles; Nitrogen Compounds. In addition, its molecular formula is C₈H₆N₂O₃ and its molecular weight is 178.14. 

The other characteristics of 4-Methoxy-2-nitrobenzonitrile can be summarized as: (1)XLogP3: 1.5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 1; (5)Exact Mass: 178.037842; (6)MonoIsotopic Mass: 178.037842; (7)Topological Polar Surface Area: 78.8; (8)Heavy Atom Count: 13; (9)Complexity: 240; (10)Freely Rotating Bonds: 2; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 43.71 cm³; (13)Molar Volume: 134.5 cm³; (14)Polarizability: 17.33×10^-24cm³; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 174.3 °C; (18)Melting Point: 137-140 °C; (19)Enthalpy of Vaporization: 61.07 kJ/mol; (20)Boiling Point: 364.5 °C at 760 mmHg; (21)Vapour Pressure: 1.67E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4-Methoxy-2-nitrobenzonitrile is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c1c(C#N)ccc(OC)c1
(2)InChI: InChI=1/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
(3)InChIKey: UUYPUFCWSUBTFP-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
(5)Std. InChIKey: UUYPUFCWSUBTFP-UHFFFAOYSA-N