4-Nitroindole-3-carboxaldehyde

The 1H-Indole-3-carboxaldehyde,4-nitro-, with the CAS registry number 10553-11-4, is also known as 3-Formyl-4-nitroindole. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 189.15. What's more, its systematic name is 4-nitro-1H-indole-3-carbaldehyde.

Physical properties of 1H-Indole-3-carboxaldehyde,4-nitro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 140; (8)ACD/KOC (pH 7.4): 140; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.68 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 51.827 cm³; (15)Molar Volume: 125.379 cm³; (16)Polarizability: 20.546×10^-24cm³; (17)Surface Tension: 76.873 dyne/cm; (18)Density: 1.517 g/cm³; (19)Flash Point: 220.794 °C; (20)Enthalpy of Vaporization: 69.877 kJ/mol; (21)Boiling Point: 441.47 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. What's more, it is irritating to eyes, respiratory system and skin. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2ncc(C=O)c12
(2)Std. InChI: InChI=1S/C9H6N2O3/c12-5-6-4-10-7-2-1-3-8(9(6)7)11(13)14/h1-5,10H
(3)Std. InChIKey: CGXVTWQTGQAMMX-UHFFFAOYSA-N