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383133-26-4

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Basic Information
CAS No.: 383133-26-4
Name: 4-Iodo-1H-indole-2-carboxylic acid
Molecular Structure:
Molecular Structure of 383133-26-4 (4-Iodo-1H-indole-2-carboxylic acid)
Formula: C9H6INO2
Molecular Weight: 287.057
Synonyms: 4-iodo-1H-indole-2-carboxylic acid;
Density: 2.103 g/cm3
Boiling Point: 490.6 °C at 760 mmHg
Flash Point: 250.5 °C
PSA: 53.09000
LogP: 2.47070
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Specification

The CAS registry number of 1H-Indole-2-carboxylicacid, 4-iodo- is 383133-26-4. This chemical's molecular formula is C9H6INO2 and molecular weight is 287.0539. Its systematic name is called 4-iodo-1H-indole-2-carboxylic acid.

Physical properties of 1H-Indole-2-carboxylicacid, 4-iodo-: (1)ACD/LogP: 3.34; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.8; (6)Molar Refractivity: 58.36 cm3; (7)Molar Volume: 136.4 cm3; (8)Surface Tension: 80.2 dyne/cm; (9)Density: 2.103 g/cm3; (10)Flash Point: 250.5 °C; (11)Enthalpy of Vaporization: 79.75 kJ/mol; (12)Boiling Point: 490.6 °C at 760 mmHg; (13)Vapour Pressure: 1.93E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc2c1cc(C(=O)O)n2
(2)InChI: InChI=1/C9H6INO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
(3)InChIKey: NTBNGNBTEWXGKN-UHFFFAOYAG