3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

The 1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-, with the CAS registry number 46413-66-5, is also known as 5-(4-Bromophenyl)-1H-pyrazole-3-carboxylic acid. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; PyrazolesHeterocyclic Building Blocks. This chemical's molecular formula is C₁₀H₇BrN₂O₂ and molecular weight is 267.08. What's more, its systematic name is 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 57.98 cm³; (15)Molar Volume: 154.9 cm³; (16)Polarizability: 22.98×10^-24cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.723 g/cm³; (19)Flash Point: 277.9 °C; (20)Enthalpy of Vaporization: 85.52 kJ/mol; (21)Boiling Point: 535.9 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(nn1)c2ccc(Br)cc2
(2)Std. InChI: InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
(3)Std. InChIKey: QEOVHDPWTQAMLB-UHFFFAOYSA-N