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CAS No.: | 903131-21-5 |
---|---|
Name: | 3-bromo-7-methyl-1H-indole |
Molecular Structure: | |
Formula: | C9H8BrN |
Molecular Weight: | 210.073 |
Synonyms: | 3-Bromo-7-methylindole; |
Density: | 1.563 g/cm3 |
Boiling Point: | 322 °C at 760 mmHg |
Flash Point: | 148.5 °C |
PSA: | 15.79000 |
LogP: | 3.23880 |
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The 1H-Indole,3-bromo-7-methyl-, with the CAS registry number 903131-21-5, is also known as 3-Bromo-7-methylindole. This chemical's molecular formula is C9H8BrN and molecular weight is 210.07. Its systematic name is called 3-bromo-7-methyl-1H-indole.
Physical properties of 1H-Indole,3-bromo-7-methyl-: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.37; (4)ACD/BCF (pH 5.5): 215.98; (5)ACD/BCF (pH 7.4): 215.98; (6)ACD/KOC (pH 5.5): 1631.49; (7)ACD/KOC (pH 7.4): 1631.49; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.684; (11)Molar Refractivity: 51.04 cm3; (12)Molar Volume: 134.3 cm3; (13)Surface Tension: 50.9 dyne/cm; (14)Density: 1.563 g/cm3; (15)Flash Point: 148.5 °C; (16)Enthalpy of Vaporization: 54.14 kJ/mol; (17)Boiling Point: 322 °C at 760 mmHg; (18)Vapour Pressure: 0.000542 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c1cccc(c1nc2)C
(2)InChI: InChI=1/C9H8BrN/c1-6-3-2-4-7-8(10)5-11-9(6)7/h2-5,11H,1H3
(3)InChIKey: SRFCQQLQYIWNJX-UHFFFAOYAV