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| CAS No.: | 68527-67-3 |
|---|---|
| Name: | 6-bromo-8-nitroquinoline |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H5BrN2O2 |
| Molecular Weight: | 253.055 |
| Synonyms: | 6-Bromo-8-nitroquinoline;6-bromo-8-nitro-quinoline; |
| Density: | 1.747 g/cm3 |
| Boiling Point: | 365.8 °C at 760 mmHg |
| Flash Point: | 175 °C |
| PSA: | 58.71000 |
| LogP: | 3.42870 |
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Specification
This chemical is called Quinoline, 6-bromo-8-nitro-, and its systematic name is 6-bromo-8-nitroquinoline. With the molecular formula of C9H5BrN2O2, its molecular weight is 253.05. The CAS registry number of this chemical is 68527-67-3.
Other characteristics of the Quinoline, 6-bromo-8-nitro- can be summarised as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.15; (6)ACD/BCF (pH 7.4): 20.15; (7)ACD/KOC (pH 5.5): 298.64; (8)ACD/KOC (pH 7.4): 298.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 56.42 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 22.36×10-24cm3; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.747 g/cm3; (19)Flash Point: 175 °C; (20)Enthalpy of Vaporization: 58.8 kJ/mol; (21)Boiling Point: 365.8 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cc(Br)cc2cccnc12
2.InChI: InChI=1/C9H5BrN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h1-5H
3.InChIKey: IANZBVIZZQFJPI-UHFFFAOYAC