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6-Bromo-4-chloro-3-nitroquinoline (723281-72-9)

Identification
Name:6-Bromo-4-chloro-3-nitroquinoline
Synonyms:6-BROMO-4-CHLORO-3-NITROQUINOLINE;
CAS:723281-72-9
Molecular Formula: C9H4BrClN2O2
Molecular Weight: 287.50
InChI: InChI=1/C9H4BrClN2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H
Molecular Structure: (C9H4BrClN2O2) 6-BROMO-4-CHLORO-3-NITROQUINOLINE;
Properties
Density:1.834
Refractive index:1.711
Specification:

The IUPAC name of this chemical is 6-bromo-4-chloro-3-nitroquinoline. With the CAS registry number 723281-72-9, it is also named as quinoline, 6-bromo-4-chloro-3-nitro-. And its molecule fomular is C9H4BrClN2O2. In addition, this chemical is white solid which is used as intermediate. Furthermore, it must be sealed in the container and avoid direct sunshine.

The other characteristics of 6-Bromo-4-chloro-3-nitroquinoline can be summarized as: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 160; (5)ACD/BCF (pH 7.4): 160; (6)ACD/KOC (pH 5.5): 1317; (7)ACD/KOC (pH 7.4): 1317; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 61.317 cm3; (13)Molar Volume: 156.75 cm3; (14)Polarizability: 24.308×10-24 cm3; (15)Surface Tension: 66.19 dyne/cm; (16)Enthalpy of Vaporization: 61.182 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Exact Mass: 285.914468; (19)MonoIsotopic Mass: 285.914468; (20)Topological Polar Surface Area: 58.7; (21)Heavy Atom Count: 15; (22)Complexity: 261.

People can use the following data to convert to the molecule structure.
1. SMILES: O=N(=O)c1cnc2ccc(Br)cc2c1Cl;
2. InChI: InChI=1/C9H4BrClN2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H;
3. InChIKey: KHKPVEMMXJCWGP-UHFFFAOYAL.

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