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286836-05-3

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Basic Information
CAS No.: 286836-05-3
Name: 7-Bromo-6-fluorobenzofuran
Article Data: 4
Molecular Structure:
Molecular Structure of 286836-05-3 (7-Bromo-6-fluorobenzofuran)
Formula: C8H4BrFO
Molecular Weight: 215.022
Synonyms: 6-Fluoro-7-bromobenzofuran;7-Bromo-6-fluoro-1-benzofuran;Benzofuran, 7-bromo-6-fluoro-;
Density: 1.697 g/cm3
Boiling Point: 234.111 °C at 760 mmHg
Flash Point: 95.387 °C
PSA: 13.14000
LogP: 3.33440
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Specification

The 7-Bromo-6-fluorobenzofuran, with the CAS registry number 286836-05-3, is also known as 6-Fluoro-7-bromobenzofuran. This chemical's molecular formula is C8H4BrFO and molecular weight is 215.02. What's more, its systematic name is 7-Bromo-6-fluoro-1-benzofuran.

Physical properties of 7-Bromo-6-fluorobenzofuran are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 228; (6)ACD/BCF (pH 7.4): 228; (7)ACD/KOC (pH 5.5): 1699; (8)ACD/KOC (pH 7.4): 1699; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 44.079 cm3; (15)Molar Volume: 126.738 cm3; (16)Polarizability: 17.474×10-24 cm3; (17)Surface Tension: 42.034 dyne/cm; (18)Density: 1.697 g/cm3; (19)Flash Point: 95.387 °C; (20)Enthalpy of Vaporization: 45.173 kJ/mol; (21)Boiling Point: 234.111 °C at 760 mmHg; (22)Vapour Pressure: 0.082 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2ccoc2c1Br
(2)InChI: InChI=1S/C8H4BrFO/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4H
(3)InChIKey: RJUUDARDDHZUAB-UHFFFAOYSA-N