The 4-Bromo-2-fluorobenzoic acid with CAS registry number of 112704-79-7 is also known as Benzoic acid, 4-bromo-2-fluoro-. The IUPAC name and product name are the same. It belongs to product categories of Fluorin-contained Benzoic acid series; Blocks; Bromides; Carboxes; FluoroCompounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Fluorobenzene; Acids & Esters; Bromine Compounds; Building Blocks for Liquid Crystals; Functional Materials; C7; Carbonyl Compounds; Carboxylic Acids. In addition, the formula is C₇H₄BrFO₂ and the molecular weight is 219.01. This chemical is a white to light yellow crystal powder and should be stored in sealed containers in cool, dry place and away from oxidizing agents, reducing agents and alkali.

Physical properties about 4-Bromo-2-fluorobenzoic acid are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.37; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 40.86 cm³; (13)Molar Volume: 122.3 cm³; (14)Surface Tension: 51 dyne/cm; (15)Density: 1.789 g/cm³; (16)Flash Point: 128.8 °C; (17)Enthalpy of Vaporization: 55.83 kJ/mol; (18)Boiling Point: 289.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00102 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1Br)F)C(=O)O
2. InChI: InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
3. InChIKey: ZQQSRVPOAHYHEL-UHFFFAOYSA-N