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16792-45-3

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Basic Information
CAS No.: 16792-45-3
Name: ETHYL 6-NITRO-1H-INDOLE-2-CARBOXYLATE
Article Data: 11
Molecular Structure:
Molecular Structure of 16792-45-3 (ETHYL 6-NITRO-1H-INDOLE-2-CARBOXYLATE)
Formula: C11H10N2O4
Molecular Weight: 234.211
Synonyms: Indole-2-carboxylicacid, 6-nitro-, ethyl ester (6CI,8CI);6-Nitro-1H-indole-2-carboxylic acidethyl ester;Ethyl 6-nitro-1H-indole-2-carboxylate;Ethyl6-nitroindol-2-carboxylate;
Density: 1.393 g/cm3
Melting Point: 194-196℃
Boiling Point: 429.5 °C at 760 mmHg
Flash Point: 213.5 °C
Solubility: Slightly soluble in water.
PSA: 87.91000
LogP: 2.77600
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Specification

The Ethyl 6-Nitro-1H-indole-2-carboxylate, with the CAS registry number 16792-45-3, is also known as 6-Nitro-2-carbethoxyindole. This chemical's molecular formula is C11H10N2O4 and molecular weight is 234.2081. Its systematic name is called ethyl 6-nitro-1H-indole-2-carboxylate.

Physical properties of Ethyl 6-Nitro-1H-indole-2-carboxylate: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.55; (5)ACD/BCF (pH 7.4): 83.55; (6)ACD/KOC (pH 5.5): 826.67; (7)ACD/KOC (pH 7.4): 826.66; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.652; (12)Molar Refractivity: 61.48 cm3; (13)Molar Volume: 168.1 cm3; (14)Surface Tension: 61.5 dyne/cm; (15)Density: 1.393 g/cm3; (16)Flash Point: 213.5 °C; (17)Enthalpy of Vaporization: 68.48 kJ/mol; (18)Boiling Point: 429.5 °C at 760 mmHg; (19)Vapour Pressure: 1.4E-07 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)OCC
(2)InChI: InChI=1/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3
(3)InChIKey: SOMZLSPJSSDTAP-UHFFFAOYAG