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| CAS No.: | 292636-08-9 |
|---|---|
| Name: | 7-BROMO-5-CHLOROINDOLE |
| Molecular Structure: | |
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| Formula: | C8H5BrClN |
| Molecular Weight: | 230.491 |
| Synonyms: | 7-Bromo-5-chloro-1H-indole;7-Bromo-5-chloroindole; |
| Density: | 1.772 g/cm3 |
| Boiling Point: | 348.1 °C at 760 mmHg |
| Flash Point: | 164.4 °C |
| PSA: | 15.79000 |
| LogP: | 3.58380 |
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Specification
The 7-Bromo-5-chloroindole, with the CAS registry number 292636-08-9, is also known as 1H-Indole, 7-bromo-5-chloro-. This chemical's molecular formula is C8H5BrClN and molecular weight is 230.49. Its systematic name is called 7-Bromo-5-chloro-1H-indole.
Physical properties about this chemical are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 349.47; (6)ACD/BCF (pH 7.4): 349.47; (7)ACD/KOC (pH 5.5): 2302.39; (8)ACD/KOC (pH 7.4): 2302.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.715; (13)Molar Refractivity: 51.11 cm3; (14)Molar Volume: 130 cm3; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.772 g/cm3; (17)Flash Point: 164.4 °C; (18)Enthalpy of Vaporization: 56.91 kJ/mol; (19)Boiling Point: 348.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000103 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1cc(cc2Br)Cl
(2)InChI: InChI=1/C8H5BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
(3)InChIKey: CBQDZTGRYHTJRO-UHFFFAOYAW