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948015-64-3

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Basic Information
CAS No.: 948015-64-3
Name: 3-Cyano-7-chloroindole
Molecular Structure:
Molecular Structure of 948015-64-3 (3-Cyano-7-chloroindole)
Formula: C9H5ClN2
Molecular Weight: 176.6024
Synonyms: 1H-Indole-3-carbonitrile, 7-chloro-;
Density: 1.41 g/cm3
Boiling Point: 383.8 °C at 760 mmHg
Flash Point: 185.9 °C
PSA: 39.58000
LogP: 2.69298
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Specification

The 3-Cyano-7-chloroindole, with the CAS registry number 948015-64-3, is also known as 1H-Indole-3-carbonitrile, 7-chloro-. This chemical's molecular formula is C9H5ClN2 and molecular weight is 176.6024. Its systematic name is called 7-chloro-1H-indole-3-carbonitrile.

Physical properties of 3-Cyano-7-chloroindole: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Index of Refraction: 1.686; (7)Molar Refractivity: 47.62 cm3; (8)Molar Volume: 125.1 cm3; (9)Surface Tension: 65.8 dyne/cm; (10)Density: 1.41 g/cm3; (11)Flash Point: 185.9 °C; (12)Enthalpy of Vaporization: 63.24 kJ/mol; (13)Boiling Point: 383.8 °C at 760 mmHg; (14)Vapour Pressure: 4.28E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2ncc1C#N
(2)InChI: InChI=1/C9H5ClN2/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5,12H
(3)InChIKey: OEVSYHNNZOKQFD-UHFFFAOYAC