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CAS 52333-42-3 chemical formula,CAS 52333-42-3 MSDS,CAS 52333-42-3 chemical properties

CAS Number 52333-42-3
chem name 7-Bromopyrido[2,3-b]pyrazine
formula C7H4BrN3
structure
synonyms 7-Bromopyrido[2,3-b]pyrazine;
properties

CAS Number 52333-42-3 properties (MSDS)

Specification

The 7-Bromopyrido[2,3-b]pyrazine is an organic compound with the formula C7H4BrN3. The IUPAC name of this chemical is 7-bromopyrido[2,3-b]pyrazine. With the CAS registry number 52333-42-3, it is also named as Pyrido[2,3-b]pyrazine, 7-bromo-. The product's categories are Halides; Fused Ring Systems; Building Blocks; Quinoxaline.

Physical properties about 7-Bromopyrido[2,3-b]pyrazine are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 3.08; (5)ACD/BCF (pH 7.4): 3.08; (6)ACD/KOC (pH 5.5): 77.79; (7)ACD/KOC (pH 7.4): 77.79; (8)#H bond acceptors: 3; (9)Polar Surface Area: 38.67 Å2; (10)Index of Refraction: 1.698; (11)Molar Refractivity: 46.05 cm3; (12)Molar Volume: 119.4 cm3; (13)Polarizability: 18.25×10-24cm3; (14)Surface Tension: 68.9 dyne/cm; (15)Density: 1.758 g/cm3; (16)Flash Point: 131.5 °C; (17)Enthalpy of Vaporization: 51.21 kJ/mol; (18)Boiling Point: 293.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00295 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2nccnc2nc1
(2)InChI: InChI=1/C7H4BrN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H
(3)InChIKey: YEDMUIQRKXNDQI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H4BrN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H
(5)Std. InChIKey: YEDMUIQRKXNDQI-UHFFFAOYSA-N