4-BROMO-3-CHLOROBENZOIC ACID

This chemical is called Benzoic acid, 4-bromo-3-chloro-, and its systematic name is 4-bromo-3-chlorobenzoic acid. With the molecular formula of C₇H₄BrClO₂, its product categories are C7; Carbonyl Compounds; Carboxylic Acids. The CAS registry number of this chemical is 25118-59-6. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides. 

Other characteristics of the Benzoic acid, 4-bromo-3-chloro- can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 5.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.62; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.76 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 18.14×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.809 g/cm³; (19)Flash Point: 155.6 °C; (20)Enthalpy of Vaporization: 60.86 kJ/mol; (21)Boiling Point: 333.7 °C at 760 mmHg; (22)Vapour Pressure: 5.32E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. In addition, it's harmful if swallowed. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(ccc1Br)C(O)=O
2.InChI: InChI=1/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
3.InChIKey: PSKJIHDVFDVNBU-UHFFFAOYAH