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4-Methyl-7-nitro-1H-indole (289483-80-3)

Identification
Name:4-Methyl-7-nitro-1H-indole
Synonyms:4-METHYL-7-NITRO-1H-INDOLE
CAS:289483-80-3
Molecular Formula: C9H8 N2 O2
Molecular Weight: 176.17
InChI: InChI=1/C9H8N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-5,10H,1H3
Molecular Structure: (C9H8N2O2) 4-METHYL-7-NITRO-1H-INDOLE
Properties
Density:1.355
Refractive index:1.694
Specification:

The 4-Methyl-7-nitro-1H-indole with the cas number 289483-80-3 is also called 1H-Indole,4-methyl-7-nitro-. Its molecular formula is C9H8N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 61.61 Å2; (7)Index of Refraction: 1.694; (8)Molar Refractivity: 49.899 cm3; (9)Molar Volume: 129.988 cm3; (10)Polarizability: 19.782×10-24cm3; (11)Surface Tension: 61.379 dyne/cm; (12)Enthalpy of Vaporization: 60.827 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(c2c1ncc2)C
(2)InChI: InChI=1/C9H8N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-5,10H,1H3
(3)InChIKey: LXZHCIXJJSWNNT-UHFFFAOYAJ

Safety Data