1H-Pyrazole,4-bromo-1-(tetrahydro-2H-pyran-2-yl)- (82099-98-7)

The cas register number of 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole is 82099-98-7. It also can be called as 1H-Pyrazole,4-bromo-1-(tetrahydro-2H-pyran-2-yl)- and the Systematic name about this chemical is 1H-pyrazole, 4-bromo-1-(tetrahydro-2H-pyran-2-yl)-.

Physical properties about 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.66; (5)ACD/BCF (pH 7.4): 4.66; (6)ACD/KOC (pH 5.5): 104.65; (7)ACD/KOC (pH 7.4): 104.65; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 27.05 Å²; (11)Index of Refraction: 1.644; (12)Molar Refractivity: 50.26 cm3; (13)Molar Volume: 138.8 cm³; (14)Polarizability: 19.92x10^-24cm³; (15)Surface Tension: 50.6 dyne/cm; (16)Enthalpy of Vaporization: 54.82 kJ/mol; (17)Boiling Point: 328.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000362 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cn(n1)C2CCCCO2)Br
(2)InChI: InChI=1/C8H11BrN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
(3)InChIKey: HDNCEUNJWJHWMO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H11BrN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
(5)Std. InChIKey: HDNCEUNJWJHWMO-UHFFFAOYSA-N