7-Nitroindole

The 7-Nitroindole, with the CAS registry number 6960-42-5, has the systematic name of 7-nitro-1H-indole. And the molecular formula of this chemical is C₈H₆N₂O₂. It is a kind of yellow crystalline powder, and belongs to the following product categories: Blocks; Indoles Oxindoles; Nitro Compounds; Indoles and derivatives; Indole Derivative; Pyrroles & Indoles; Indole; Indoles; Simple Indoles; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks.

The physical properties of 7-Nitroindole are as following: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.98; (6)ACD/BCF (pH 7.4): 58.98; (7)ACD/KOC (pH 5.5): 644.27; (8)ACD/KOC (pH 7.4): 644.27; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.75 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 45.07 cm³; (15)Molar Volume: 113.7 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.425 g/cm³; (19)Flash Point: 173.1 °C; (20)Enthalpy of Vaporization: 58.46 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 3.98E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It has possible risk of irreversible effects. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cc[nH]c2c(c1)[N+](=O)[O-]
(2)InChI: InChI=1/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H
(3)InChIKey: LZJGQIVWUKFTRD-UHFFFAOYAB