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67888-34-0

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Basic Information
CAS No.: 67888-34-0
Name: 8-bromocinnoline
Article Data: 2
Molecular Structure:
Molecular Structure of 67888-34-0 (8-bromocinnoline)
Formula: C8H5BrN2
Molecular Weight: 209.045
Synonyms: 8-Bromocinnoline;
Density: 1.656 g/cm3
Boiling Point: 325 °C at 760 mmHg
Flash Point: 150.3 °C
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Specification

The CAS register number of 8-Bromocinnoline is 67888-34-0. It also can be called as Cinnoline, 8-bromo and the systematic name about this chemical is cinnoline, 8-bromo-. It belongs to the Cinnoline Derivertives.

Physical properties about 8-Bromocinnoline are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): 1.7; (3)ACD/LogD (pH 7.4): 1.7; (4)ACD/BCF (pH 5.5): 11.57; (5)ACD/BCF (pH 7.4): 11.57; (6)ACD/KOC (pH 5.5): 200.77; (7)ACD/KOC (pH 7.4): 200.79; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78Å2; (10)Index of Refraction: 1.685; (11)Molar Refractivity: 47.96 cm3; (12)Molar Volume: 126.1 cm3; (13)Polarizability: 19.01x10-24cm3; (14)Surface Tension: 59.1 dyne/cm; (15)Enthalpy of Vaporization: 54.45 kJ/mol; (16)Boiling Point: 325 °C at 760 mmHg; (17)Vapour Pressure: 0.00045 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccnnc2c(c1)Br
(2)InChI: InChI=1/C8H5BrN2/c9-7-3-1-2-6-4-5-10-11-8(6)7/h1-5H
(3)InChIKey: GBTBZBUOFBLWOU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H5BrN2/c9-7-3-1-2-6-4-5-10-11-8(6)7/h1-5H
(5)Std. InChIKey: GBTBZBUOFBLWOU-UHFFFAOYSA-N