Basic information
- Name:
Quinoline, 8-bromo-6-chloro-
- CAS No.:
16567-11-6
- Molecular Structure:
- Formula:
- C9H5BrClN
- Molecular Weight:
- 242.4997
- Density:
- 1.673g/cm3
- Boiling Point:
- 327.771 °C at 760 mmHg
- Flash Point:
- 152.031 °C
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Specification
The Quinoline, 8-bromo-6-chloro-, with CAS registry number 16567-11-6, has the systematic name of 8-bromo-6-chloroquinoline. Its molecular weight is 242.4997. And the chemical formula of this chemical is C9H5BrClN. And the chemical formula of this chemical is C9H5BrClN.
Physical properties of Quinoline, 8-bromo-6-chloro-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 247; (6)ACD/BCF (pH 7.4): 247; (7)ACD/KOC (pH 5.5): 1798; (8)ACD/KOC (pH 7.4): 1798; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 54.772 cm3; (15)Molar Volume: 144.909 cm3; (16)Polarizability: 21.713×10-24cm3; (17)Surface Tension: 53.343 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 152.031 °C; (20)Enthalpy of Vaporization: 54.746 kJ/mol; (21)Boiling Point: 327.771 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Cl)cc2cccnc12
(2)InChI: InChI=1/C9H5BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h1-5H
(3)InChIKey: NYZQVTHNVNLOQQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H5BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h1-5H
(5)Std. InChIKey: NYZQVTHNVNLOQQ-UHFFFAOYSA-N