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374633-26-8

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Basic Information
CAS No.: 374633-26-8
Name: 6-BROMO-4-CYANOINDOLE
Molecular Structure:
Molecular Structure of 374633-26-8 (6-BROMO-4-CYANOINDOLE)
Formula: C9H5BrN2
Molecular Weight: 221.05
Synonyms: 6-BROMO-4-CYANOINDOLE;1H-Indole-4-carbonitrile, 6-broMo-;6-BroMo-1H-indole-4-carbonitrile
Density: 1.74 g/cm3
Boiling Point: 379.8 °C at 760 mmHg
Flash Point: 183.5 °C
PSA: 39.58000
LogP: 2.80208
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Specification

The 1H-Indole-4-carbonitrile,6-bromo- is an organic compound with the formula C9H5BrN2. The systematic name of this chemical is 6-bromo-1H-indole-4-carbonitrile. With the CAS registry number 374633-26-8, it is also named as 6-Bromo-4-cyanoindole.

Physical properties about 1H-Indole-4-carbonitrile,6-bromo- are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 39.58 Å2; (7)Index of Refraction: 1.726; (8)Molar Refractivity: 50.52 cm3; (9)Molar Volume: 127 cm3; (10)Polarizability: 20.02×10-24cm3; (11)Surface Tension: 72.2 dyne/cm; (12)Density: 1.74 g/cm3; (13)Flash Point: 183.5 °C; (14)Enthalpy of Vaporization: 62.79 kJ/mol; (15)Boiling Point: 379.8 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(Br)cc2nccc12
(2)InChI: InChI=1/C9H5BrN2/c10-7-3-6(5-11)8-1-2-12-9(8)4-7/h1-4,12H
(3)InChIKey: ZGACZDHTHZGXJB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H5BrN2/c10-7-3-6(5-11)8-1-2-12-9(8)4-7/h1-4,12H
(5)Std. InChIKey: ZGACZDHTHZGXJB-UHFFFAOYSA-N