1H-Pyrazole,1-(4-nitrophenyl)- (3463-30-7)

The 1-(4-Nitrophenyl)-1H-pyrazole with cas registry number of 3463-30-7, is also called Pyrazole,1-(p-nitrophenyl)- (6CI,7CI,8CI) ; 1-(4-nitrophenyl)-1h-pyrazole 95% .

Physical properties of -(4-Nitrophenyl)-1H-pyrazole :(1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.2; (6)ACD/BCF (pH 7.4): 30.2; (7)ACD/KOC (pH 5.5): 399.02; (8)ACD/KOC (pH 7.4): 399.02; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 51.59 cm³; (15)Molar Volume: 141.3 cm3; (16)Polarizability: 20.45×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 55.18 kJ/mol; (19)Vapour Pressure: 0.000292 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:[O-][N+](=O)c1ccc(cc1)n2nccc2; (2)InChI:InChI=1/C9H7N3O2/c13-12(14)9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7H; (3)InChIKey:PNWPAZGIVRZAER-UHFFFAOYAN; (4)Std. InChI:InChI=1S/C9H7N3O2/c13-12(14)9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7H; (5)Std. InChIKey:PNWPAZGIVRZAER-UHFFFAOYSA-N.