Basic Information | Post buying leads | Suppliers |
This chemical is called Benzoic acid, 3-borono-5-bromo-, and its systematic name is 3-bromo-5-(dihydroxyboranyl)benzoic acid. With the molecular formula of C7H6BBrO4, its molecular weight is 244.84. The CAS registry number of this chemical is 913835-73-1. Additionally, its product categories are Blocks; Boronic Acids; Carboxes.
Other characteristics of the Benzoic acid, 3-borono-5-bromo- can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 77.76 Å2; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 47.286 cm3; (13)Molar Volume: 131.006 cm3; (14)Polarizability: 18.745×10-24cm3; (15)Surface Tension: 73.228 dyne/cm; (16)Density: 1.869 g/cm3; (17)Flash Point: 244.536 °C; (18)Enthalpy of Vaporization: 78.506 kJ/mol; (19)Boiling Point: 480.728 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(cc(B(O)O)c1)C(=O)OC
2.InChI: InChI=1/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
3.InChIKey: CWBLIPMCDMSOFX-UHFFFAOYAV