2-Fluoro-4-nitrobenzonitrile

2-Fluoro-4-nitrobenzonitrile is an organic compound with the formula C₇H₃FN₂O₂, and its systematic name is the same with the product name. With the CAS registry number 34667-88-4, it is also named as Benzonitrile,2-fluoro-4-nitro-. In addition, the molecular weight is 166.11.

Physical properties of 2-Fluoro-4-nitrobenzonitrile are: (1)ACD/LogP: 1.809; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.95; (6)ACD/BCF (pH 7.4): 13.95; (7)ACD/KOC (pH 5.5): 229.52; (8)ACD/KOC (pH 7.4): 229.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.466 cm³; (15)Molar Volume: 117.063 cm³; (16)Polarizability: 14.853×10^-24cm³; (17)Surface Tension: 54.07 dyne/cm; (18)Density: 1.419 g/cm³; (19)Flash Point: 139.177 °C; (20)Enthalpy of Vaporization: 54.704 kJ/mol; (21)Boiling Point: 306.517 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1F)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H3FN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H
(3)Std. InChIKey: UXBIHGQYRYAMFN-UHFFFAOYSA-N