4-CHLORO-2-FLUORO-5-NITROTOLUENE

The Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-, with the CAS registry number 18349-11-6, is also known as Toluene, 4-chloro-2-fluoro-5-nitro-. It belongs to the product categories of Chlorine Compounds; Fluorine Compounds; Nitro Compounds; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. And its EINECS registry number is 242-225-9. This chemical's molecular formula is C₇H₅ClFNO₂ and molecular weight is 189.57. What's more, its IUPAC name is 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, alkali.

Physical properties about Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 27.96; (6)ACD/BCF (pH 7.4): 27.96; (7)ACD/KOC (pH 5.5): 377.59; (8)ACD/KOC (pH 7.4): 377.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.51 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 16.85×10^-24 cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 48.19 kJ/mol; (21)Boiling Point: 264.3 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. 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: O=[N+]([O-])c1cc(c(F)cc1Cl)C
(2) InChI: InChI=1/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3
(3) InChIKey: SJDPAVRCQNFVDM-UHFFFAOYAG