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CAS No.: | 917251-85-5 |
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Name: | 8-Bromo-3-iodoquinoline |
Molecular Structure: | |
Formula: | C9H5BrIN |
Molecular Weight: | 333.95 |
Synonyms: | 8-Bromo-3-iodoquinoline;Quinoline, 8-broMo-3-iodo- |
Density: | 2.154 g/cm3 |
Boiling Point: | 375.486 °C at 760 mmHg |
Flash Point: | 180.887 °C |
PSA: | 12.89000 |
LogP: | 3.60190 |
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This chemical is called 8-Bromo-3-iodo-quinoline, and it can also be named as quinoline, 8-bromo-3-iodo-. With the molecular formula of C9H5BrIN, its molecular weight is 333.95. The CAS registry number of this chemical is 917251-85-5.
Other characteristics of the 8-Bromo-3-iodo-quinoline can be summarised as followings: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.451; (4)ACD/LogD (pH 7.4): 3.451; (5)ACD/BCF (pH 5.5): 247.121; (6)ACD/BCF (pH 7.4): 247.122; (7)ACD/KOC (pH 5.5): 1796.596; (8)ACD/KOC (pH 7.4): 1796.605; (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: 1.744; (14)Molar Refractivity: 62.784 cm3; (15)Molar Volume: 155.031 cm3; (16)Polarizability: 24.889×10-24cm3; (17)Surface Tension: 59.936 dyne/cm; (18)Density: 2.154 g/cm3; (19)Flash Point: 180.887 °C; (20)Enthalpy of Vaporization: 59.857 kJ/mol; (21)Boiling Point: 375.486 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc2cc(cnc2c(c1)Br)I
2.InChI: InChI=1/C9H5BrIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
3.InChIKey: JPJKDNAXYHDTSK-UHFFFAOYAQ