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CAS No.: | 166196-54-9 |
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Name: | 4-(4-Bromo-1H-pyrazol-3-yl)pyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H6BrN3 |
Molecular Weight: | 224.06 |
Synonyms: | AR3941;4-(4-BROMO-1H-PYRAZOL-3-YL)PYRIDINE; |
Density: | 1.651 g/cm3 |
Boiling Point: | 381.2 °C at 760 mmHg |
Flash Point: | 184.4 °C |
PSA: | 41.57000 |
LogP: | 2.23420 |
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The 4-(4-Bromo-1H-pyrazol-3-yl)pyridine, its cas register number is 166196-54-9. The Systematic name about this chemical is 4-(4-bromo-1H-pyrazol-3-yl)pyridine.
Physical properties about 4-(4-Bromo-1H-pyrazol-3-yl)pyridine are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 41.57Å2; (5)Index of Refraction: 1.644; (6)Molar Refractivity: 49.15 cm3; (7)Molar Volume: 135.6 cm3; (8)Polarizability: 19.48x10-24cm3; (9)Surface Tension: 60.9 dyne/cm; (10)Enthalpy of Vaporization: 60.48 kJ/mol; (11)Vapour Pressure: 1.13E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnccc1c2c(c[nH]n2)Br
(2)InChI: InChI=1/C8H6BrN3/c9-7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12)
(3)InChIKey: LKKNQJJSEMQTHQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12)
(5)Std. InChIKey: LKKNQJJSEMQTHQ-UHFFFAOYSA-N