The CAS registry number of 1H-Indole-2-carboxylicacid, 6-nitro- is 10242-00-9. This chemical's molecular formula is C9H6N2O4 and molecular weight is 206.15. Its systematic name is called 6-nitro-1H-indole-2-carboxylic acid.
Physical properties of 1H-Indole-2-carboxylicacid, 6-nitro-: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): -0.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.761; (12)Molar Refractivity: 52 cm3; (13)Molar Volume: 126.2 cm3; (14)Surface Tension: 89.5 dyne/cm; (15)Density: 1.632 g/cm3; (16)Flash Point: 268.8 °C; (17)Enthalpy of Vaporization: 83.58 kJ/mol; (18)Boiling Point: 520.8 °C at 760 mmHg; (19)Vapour Pressure: 1.13E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)nc(c2)C(=O)O
(2)InChI: InChI=1/C9H6N2O4/c12-9(13)8-3-5-1-2-6(11(14)15)4-7(5)10-8/h1-4,10H,(H,12,13)
(3)InChIKey: JIXJNWVLWQQNDB-UHFFFAOYAS
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