Benzene,4-chloro-1-fluoro-2-nitro- (345-18-6)

The 5-Chloro-2-fluoronitrobenzene with cas registry number of 345-18-6 is also known as 4-Chloro-1-fluoro-2-nitrobenzene which is also its systematic name and IUPAC name. Its EINECS registry number is 206-457-4. This chemical belongs to several categories: Aromatic Halides (substituted); Miscellaneous.

The physical properties about this chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.7; (6)ACD/BCF (pH 7.4): 34.7; (7)ACD/KOC (pH 5.5): 440.77; (8)ACD/KOC (pH 7.4): 440.77; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 37.68 cm³; (14)Molar Volume: 117.4 cm³; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.494 g/cm³; (17)Flash Point: 97.2 °C; (18)Enthalpy of Vaporization: 45.47 kJ/mol; (19)Boiling Point: 237.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0702 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c([N+]([O-])=O)cc(Cl)cc1;
(2)InChI: InChI=1/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H;
(3)InChIKey: DIAWBHLTWNWYGR-UHFFFAOYAY