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Isoquinoline,7-bromo-1,3-dichloro- (924271-40-9)

Identification
Name:Isoquinoline,7-bromo-1,3-dichloro-
Synonyms:7-Bromo-1,3-dichloroisoquinoline;
CAS:924271-40-9
Molecular Formula: C9H4BrCl2N
Molecular Weight: 276.94
InChI: InChI=1/C9H4BrCl2N/c10-6-2-1-5-3-8(11)13-9(12)7(5)4-6/h1-4H
Molecular Structure: (C9H4BrCl2N) 7-Bromo-1,3-dichloroisoquinoline;
Properties
Density:1.765
Refractive index:1.685
Specification:

The cas register number of 7-Bromo-1,3-dichloroisoquinoline is 924271-40-9. It also can be called as Isoquinoline,7-bromo-1,3-dichloro- and the Systematic name about this chemical is isoquinoline, 7-bromo-1,3-dichloro-. It belongs to the API intermediates.

Physical properties about 7-Bromo-1,3-dichloroisoquinoline are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 4.08; (3)ACD/LogD (pH 7.4): 4.08; (4)ACD/BCF (pH 5.5): 746.95; (5)ACD/BCF (pH 7.4): 746.95; (6)ACD/KOC (pH 5.5): 3965.55; (7)ACD/KOC (pH 7.4): 3965.55; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89Å2; (10)Index of Refraction: 1.685; (11)Molar Refractivity: 59.66 cm3; (12)Molar Volume: 156.8 cm3; (13)Polarizability: 23.65x10-24cm3; (14)Surface Tension: 55.1 dyne/cm; (15)Enthalpy of Vaporization: 60.72 kJ/mol; (16)Boiling Point: 383.4 °C at 760 mmHg; (17)Vapour Pressure: 9.74E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1cc(nc2Cl)Cl)Br
(2)InChI: InChI=1/C9H4BrCl2N/c10-6-2-1-5-3-8(11)13-9(12)7(5)4-6/h1-4H
(3)InChIKey: DVPABFNTLVFBQI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H4BrCl2N/c10-6-2-1-5-3-8(11)13-9(12)7(5)4-6/h1-4H
(5)Std. InChIKey: DVPABFNTLVFBQI-UHFFFAOYSA-N

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