6-Bromo-1-benzofuran-2-carboxylic acid (439107-94-5)

The 6-Bromo-1-benzofuran-2-carboxylic acid with the CAS number 439107-94-5 is also called 6-Bromobenzofuran-2-carboxylic acid. Its molecular formula is C₉H₅BrO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 6-Bromo-1-benzofuran-2-carboxylic acid are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 51.01 cm³; (15)Molar Volume: 135 cm³; (16)Polarizability: 20.22×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Enthalpy of Vaporization: 65.18 kJ/mol; (19)Vapour Pressure: 3.71×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1c(oc(c1)C(=O)O)c2
(2)InChI: InChI=1/C9H5BrO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
(3)InChIKey: ULBSHNJYWRMJRZ-UHFFFAOYAC