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CAS No.: | 957035-08-4 |
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Name: | 2-Borono-3-bromo-6-fluoroanisole |
Molecular Structure: | |
Formula: | C7H7BBrFO3 |
Molecular Weight: | 248.84 |
Synonyms: | Boronic acid, B-(6-bromo-3-fluoro-2-methoxyphenyl)-; |
Density: | 1.68 g/cm3 |
Boiling Point: | 372.1 °C at 760 mmHg |
Flash Point: | 178.9 °C |
PSA: | 49.69000 |
LogP: | 0.27660 |
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The 6-Bromo-3-fluoro-2-methoxyphenylboronic acid, with the CAS registry number 957035-08-4, is also known as Boronic acid, B-(6-bromo-3-fluoro-2-methoxyphenyl)-. It belongs to the product categories of Blocks; BoronicAcids; Bromides. This chemical's molecular formula is C7H7BBrFO3 and molecular weight is 248.84. Its systematic name is called (6-bromo-3-fluoro-2-methoxy-phenyl)boronic acid.
Physical properties of 6-Bromo-3-fluoro-2-methoxyphenylboronic acid: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 1.95 ; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.557; (9)Molar Refractivity: 47.48 cm3; (10)Molar Volume: 147.3 cm3; (11)Surface Tension: 48.4 dyne/cm; (12)Density: 1.68 g/cm3; (13)Flash Point: 178.9 °C; (14)Enthalpy of Vaporization: 65.33 kJ/mol; (15)Boiling Point: 372.1 °C at 760 mmHg; (16)Vapour Pressure: 3.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(ccc(c1OC)F)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: QBCPODUNQONQHF-UHFFFAOYAQ