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136818-66-1

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Basic Information
CAS No.: 136818-66-1
Name: Methyl 6-nitro-1H-indole-2-carboxylate
Article Data: 10
Molecular Structure:
Molecular Structure of 136818-66-1 (Methyl 6-nitro-1H-indole-2-carboxylate)
Formula: C10H8N2O4
Molecular Weight: 220.18
Synonyms: 6-Nitro-1H-indole-2-carboxylic acid methyl ester;
Density: 1.452 g/cm3
Boiling Point: 424.2 °C at 760 mmHg
Flash Point: 210.4 °C
PSA: 87.91000
LogP: 2.38590
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Specification

This chemical is an organic compound with the formula C10H8N2O4. Ths systematic name of this chemical is methyl 6-nitro-1H-indole-2-carboxylate. With the CAS registry number is 136818-66-1, it is also named as 6-Nitro-1H-indole-2-carboxylic acid methyl ester. In addition, the molecular weight is 220.18.

The other characteristics of Methyl 6-nitro-1H-indole-2-carboxylate can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 77.05 Å2; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 56.84 cm3; (9)Molar Volume: 151.6 cm3; (10)Polarizability: 22.53×10-24 cm3; (11)Surface Tension: 65.3 dyne/cm; (12)Density: 1.452 g/cm3; (13)Flash Point: 210.4 °C; (14)Enthalpy of Vaporization: 67.87 kJ/mol; (15)Boiling Point: 424.2 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:[O-][N+](=O)c1ccc2c(c1)nc(c2)C(=O)OC
2. InChI:InChI=1/C10H8N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/h2-5,11H,1H3
3. InChIKey:XYESWWUBKWDGNI-UHFFFAOYAX
4. Std. InChI:InChI=1S/C10H8N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/h2-5,11H,1H3 
5. Std. InChIKey:XYESWWUBKWDGNI-UHFFFAOYSA-N