1H-Pyrazole,3-(3-bromophenyl)- (149739-65-1)

The 3-(3-Bromophenyl)-1H-pyrazole, with CAS registry number 149739-65-1, belongs to the following product categories: (1)Phenyls & Phenyl-Het; (2)Halides. Its systematic name and its IUPAC name are the same, which is 5-(3-bromophenyl)-1H-pyrazole. When use this chemical, please do not breathe dust.

Physical properties of 3-(3-Bromophenyl)-1H-pyrazole: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.76; (6)ACD/BCF (pH 7.4): 72.79; (7)ACD/KOC (pH 5.5): 748.72; (8)ACD/KOC (pH 7.4): 748.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 51.05 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 20.24×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 59.87 kJ/mol; (19)Vapour Pressure: 1.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)c2ccnn2
(2)InChI: InChI=1/C9H7BrN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
(3)InChIKey: NVRXIZHZQPRBKL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
(5)Std. InChIKey: NVRXIZHZQPRBKL-UHFFFAOYSA-N