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| CAS No.: | 957120-61-5 |
|---|---|
| Name: | 5-Bromo-2-fluoro-3-methylphenylboronic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H7BBrFO2 |
| Molecular Weight: | 232.845 |
| Synonyms: | 5-Bromo-2-fluoro-3-methylphenylboronic acid; |
| Density: | 1.65 g/cm3 |
| Boiling Point: | 345.8 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| PSA: | 40.46000 |
| LogP: | 0.57640 |
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Specification
The 5-Bromo-2-fluoro-3-methylphenylboronic acid with the CAS number 957120-61-5 is also called Boronic acid,B-(5-bromo-2-fluoro-3-methylphenyl)-. Its molecular formula is C7H7BBrFO2. This chemical belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Bromides; (4)Fluoro Compounds.
The properties of the 5-Bromo-2-fluoro-3-methylphenylboronic acid are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.53; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46Å2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 45.74 cm3; (11)Molar Volume: 141 cm3; (12)Polarizability: 18.13×10-24cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Enthalpy of Vaporization: 62.25 kJ/mol; (15)Vapour Pressure: 2.28×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1F)C)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: VLFDXHTXMHURJH-UHFFFAOYAZ