(3-BROMO-5-NITROPHENYL)BORONIC ACID

The Boronicacid, B-(3-bromo-5-nitrophenyl)-, with CAS registry number 380430-48-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (3-bromo-5-nitrophenyl)boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₆H₅BBrNO₄.

Physical properties of Boronicacid, B-(3-bromo-5-nitrophenyl)-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 11.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 189.01; (8)ACD/KOC (pH 7.4): 8.82; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 47.04 cm³; (15)Molar Volume: 132.2 cm³; (16)Polarizability: 18.64×10^-24cm³; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.85 g/cm³; (19)Flash Point: 198.6 °C; (20)Enthalpy of Vaporization: 69.21 kJ/mol; (21)Boiling Point: 404.8 °C at 760 mmHg; (22)Vapour Pressure: 2.8E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Boronicacid, B-(3-bromo-5-nitrophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(B(O)O)c1)[N+]([O-])=O
(2)InChI: InChI=1/C6H5BBrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H
(3)InChIKey: FFCQCRMODYFROM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H5BBrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H
(5)Std. InChIKey: FFCQCRMODYFROM-UHFFFAOYSA-N