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Basic Information
CAS No.: 166196-54-9
Name: 4-(4-Bromo-1H-pyrazol-3-yl)pyridine
Molecular Structure:
Molecular Structure of 166196-54-9 (4-(4-Bromo-1H-pyrazol-3-yl)pyridine)
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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Specification

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