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957035-33-5

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Basic Information
CAS No.: 957035-33-5
Name: 3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine
Molecular Structure:
Molecular Structure of 957035-33-5 (3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine)
Formula: C7H4BrClN4
Molecular Weight: 259.4905
Synonyms: 3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine;
Density: 1.92 g/cm3
Boiling Point: 419.5 °C at 760 mmHg
Flash Point: 207.5 °C
PSA: 43.60000
LogP: 2.07820
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Specification

The Pyridazine,3-(4-bromo-1H-pyrazol-1-yl)-6-chloro-, with the CAS registry number 957035-33-5, is also known as 3-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyridazine. It belongs to the product categories of Blocks; Bromides; Imidazoles; Pyridines. This chemical's molecular formula is C7H4BrClN4 and molecular weight is 259.4905. What's more, its systematic name is called 3-(4-Bromopyrazol-1-yl)-6-chloro-pyridazine.

Physical properties about Pyridazine,3-(4-bromo-1H-pyrazol-1-yl)-6-chloro- are: (1)ACD/LogP: 0.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 43.6 Å2; (9)Index of Refraction: 1.749; (10)Molar Refractivity: 54.97 cm3; (11)Molar Volume: 135 cm3; (12)Polarizability: 21.79×10-24 cm3; (13)Surface Tension: 63.2 dyne/cm; (14)Density: 1.92 g/cm3; (15)Flash Point: 207.5 °C; (16)Enthalpy of Vaporization: 64.71 kJ/mol; (17)Boiling Point: 419.5 °C at 760 mmHg; (18)Vapour Pressure: 7.38E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nnc1n2cc(cn2)Br)Cl
(2) InChI: InChI=1/C7H4BrClN4/c8-5-3-10-13(4-5)7-2-1-6(9)11-12-7/h1-4H
(3) InChIKey: KPQXONXRLAIKLB-UHFFFAOYAZ