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CAS No.: | 393553-55-4 |
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Name: | 4-BROMO-6-METHOXYINDOLE |
Molecular Structure: | |
Formula: | C9H8BrNO |
Molecular Weight: | 226.073 |
Synonyms: | 4-Bromo-6-methoxyindole; |
Density: | 1.591 g/cm3 |
Boiling Point: | 346.8 °C at 760 mmHg |
Flash Point: | 163.5 °C |
PSA: | 25.02000 |
LogP: | 2.93900 |
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The 1H-Indole,4-bromo-6-methoxy-, with the CAS registry number 393553-55-4, is also known as 4-Bromo-6-methoxyindole. This chemical's molecular formula is C9H8BrNO and molecular weight is 226.07. Its systematic name is called 4-bromo-6-methoxy-1H-indole.
Physical properties of 1H-Indole,4-bromo-6-methoxy-: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 2.89; (3)ACD/LogD (pH 7.4): 2.89; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 52.89 cm3; (9)Molar Volume: 142 cm3; (10)Surface Tension: 50 dyne/cm; (11)Density: 1.591 g/cm3; (12)Flash Point: 163.5 °C; (13)Enthalpy of Vaporization: 56.76 kJ/mol; (14)Boiling Point: 346.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000113 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc2cc1nccc1c(Br)c2
(2)InChI: InChI=1/C9H8BrNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
(3)InChIKey: CZJYKEPYJHPVOD-UHFFFAOYAV