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412923-40-1

Basic Information
CAS No.: 412923-40-1
Name: 2-BROMOTHIAZOLO[5,4-B]PYRIDINE
Molecular Structure:
Molecular Structure of 412923-40-1 (2-BROMOTHIAZOLO[5,4-B]PYRIDINE)
Formula: C6H3BrN2S
Molecular Weight: 215.073
Synonyms: 2-Bromothiazolo[5,4-b]pyridine;2-Bromo[1,3]thiazolo[5,4-b]pyridine;
Density: 1.859 g/cm3
Boiling Point: 311.4 °C at 760 mmHg
Flash Point: 142.2 °C
PSA: 54.02000
LogP: 2.45380
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Specification

The CAS register number of Thiazolo[5,4-b]pyridine,2-bromo- is 412938-67-1. It also can be called as 2-Bromothiazolo[5,4-b]pyridine and the systematic name about this chemical is 2-Bromo[1,3]thiazolo[5,4-b]pyridine. The molecular formula about this chemical is C6H3BrN2S and the molecular weight is 215.07.

Physical properties about Thiazolo[5,4-b]pyridine,2-bromo- are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.36; (5)ACD/BCF (pH 7.4): 28.36; (6)ACD/KOC (pH 5.5): 381.42; (7)ACD/KOC (pH 7.4): 381.43; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02Å2; (10)Index of Refraction: 1.733; (11)Molar Refractivity: 46.35 cm3; (12)Molar Volume: 115.6 cm3; (13)Polarizability: 18.37x10-24cm3; (14)Surface Tension: 68.7 dyne/cm; (15)Flash Point: 142.2 °C; (16)Enthalpy of Vaporization: 53.03 kJ/mol; (17)Boiling Point: 311.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(nc1)sc(n2)Br
(2)InChI: InChI=1/C6H3BrN2S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H
(3)InChIKey: VUSLYGKUDDJMMC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3BrN2S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H
(5)Std. InChIKey: VUSLYGKUDDJMMC-UHFFFAOYSA-N