3-Fluoro-4-nitroaniline

The 3-Fluoro-4-nitroaniline, with its CAS registry number 2369-13-3, has the chemical formula of C6H5FN2O2. And its product categories are including heterocyclic/Aliphatic Series; Amines; Phenyls & Phenyl-Het.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.57; (6)ACD/BCF (pH 7.4): 8.57; (7)ACD/KOC (pH 5.5): 161.91; (8)ACD/KOC (pH 7.4): 161.91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 37.02 cm³; (15)Molar Volume: 107.7 cm³; (16)Polarizability: 14.67×10^-24 cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.448 g/cm³; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 57.83 kJ/mol; (21)Boiling Point: 335.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000121 mmHg at 25°C; (23)Exact Mass: 156.033506; (24)MonoIsotopic Mass: 156.033506; (25)Topological Polar Surface Area: 71.8; (26)Heavy Atom Count: 11; (27)Complexity: 159.

When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. If by inhalation, in contact with skin and if swallowed, it will be dangerous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1N)F)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
(3)InChIKey: KKQPNAPYVIIXFB-UHFFFAOYSA-N