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CAS No.: | 5753-63-9 |
---|---|
Name: | 4-bromopyridazin-1-oxide |
Molecular Structure: | |
Formula: | C4H3BrN2O |
Molecular Weight: | 174.98 |
Synonyms: | 4-bromopyridazin-1-oxide |
Density: | 1.873 g/cm3 |
Melting Point: | 124.0-125.5 °C |
Boiling Point: | 282.506 °C at 760 mmHg |
Flash Point: | 124.655 °C |
PSA: | 38.35000 |
LogP: | 1.27260 |
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This chemical is called Pyridazine, 4-bromo-,1-oxide, and its systematic name is 4-bromo-1-oxido-pyridazin-1-ium. With the molecular formula of C4H3BrN2O, its molecular weight is 174.98. The CAS registry number of this chemical is 5753-63-9.
Other characteristics of the Pyridazine, 4-bromo-,1-oxide can be summarised as followings: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.124; (4)ACD/LogD (pH 7.4): 0.124; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.84; (8)ACD/KOC (pH 7.4): 27.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.35 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 33.844 cm3; (15)Molar Volume: 93.404 cm3; (16)Polarizability: 13.417×10-24cm3; (17)Surface Tension: 57.382 dyne/cm; (18)Density: 1.873 g/cm3; (19)Flash Point: 124.655 °C; (20)Enthalpy of Vaporization: 50.043 kJ/mol; (21)Boiling Point: 282.506 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c[n+](ncc1Br)[O-]
2.InChI: InChI=1/C4H3BrN2O/c5-4-1-2-7(8)6-3-4/h1-3H
3.InChIKey: KAJTWMSTNXTSBC-UHFFFAOYAU