1.Introduction of 4-Bromo-2-hydroxybenzoic acid

The Benzoicacid, 4-bromo-2-hydroxy-, with the CAS registry number 1666-28-0, has the systematic name of 4-bromo-2-hydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Bromine Compounds. And the molecular formula of this chemical is C₇H₅BrO₃. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

2. Properties of 4-Bromo-2-hydroxybenzoic acid

(1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.47; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.75 cm³; (15)Molar Volume: 116.5 cm³; (16)Polarizability: 16.94×10^-24cm³; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.861 g/cm³; (19)Flash Point: 153.5 °C; (20)Enthalpy of Vaporization: 60.46 kJ/mol; (21)Boiling Point: 330.2 °C at 760 mmHg; (22)Vapour Pressure: 6.78E-05 mmHg at 25°C.

3.Structure descriptors of 4-Bromo-2-hydroxybenzoic acid

(1)SMILES: O=C(O)c1c(O)cc(Br)cc1
(2)InChI: InChI=1/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
(3)InChIKey: FYAKLZKQJDBBKW-UHFFFAOYAQ