This chemical is called 4-Bromo-3-(hydroxymethyl)-1-methyl-1H-pyrazole, and its systematic name is (4-bromo-1-methyl-pyrazol-3-yl)methanol. With the molecular formula of C5H7BrN2O, its molecular weight is 191.03. The CAS registry number of this chemical is 915707-65-2.
Other characteristics of the 4-Bromo-3-(hydroxymethyl)-1-methyl-1H-pyrazole can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 38.05 Å2; (5)Index of Refraction: 1.621; (6)Molar Refractivity: 38.26 cm3; (7)Molar Volume: 108.7 cm3; (8)Polarizability: 15.17×10-24cm3; (9)Surface Tension: 49.3 dyne/cm; (10)Density: 1.75 g/cm3; (11)Flash Point: 140.3 °C; (12)Enthalpy of Vaporization: 57.98 kJ/mol; (13)Boiling Point: 308.4 °C at 760 mmHg; (14)Vapour Pressure: 0.000295 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cn1cc(c(n1)CO)Br
2.InChI: InChI=1/C5H7BrN2O/c1-8-2-4(6)5(3-9)7-8/h2,9H,3H2,1H3
3.InChIKey: JFGLJTFTVBZOCB-UHFFFAOYAA
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