Name: 7-Bromo-5-fluorobenzo[b]furan
SKU: 253429-19-5

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Basic Information

Molecular Structure:
CAS No.:	253429-19-5
Name:	7-Bromo-5-fluorobenzo[b]furan
Article Data:	10

Formula:	C₈H₄BrFO
Molecular Weight:	215.022
Synonyms:	7-Bromo-5-fluorobenzofuran;5-Fluoro-7-bromobenzofuran;7-bromo-5-fluoro-1-benzofuran;
Density:	1.697 g/cm³
Boiling Point:	233.37 °C at 760 mmHg
Flash Point:	94.939 °C
Hazard Symbols:	Xi
PSA:	13.14000
LogP:	3.33440

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Specification

The Benzofuran,7-bromo-5-fluoro-, with the CAS registry number 253429-19-5, has the systematic name of 7-bromo-5-fluoro-1-benzofuran. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₈H₄BrFO.

The physical properties of Benzofuran,7-bromo-5-fluoro- are as following: (1)ACD/LogP: 3.20; (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): 262; (6)ACD/BCF (pH 7.4): 262; (7)ACD/KOC (pH 5.5): 1871; (8)ACD/KOC (pH 7.4): 1871; (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^-24cm³; (17)Surface Tension: 42.034 dyne/cm; (18)Density: 1.697 g/cm³; (19)Flash Point: 94.939 °C; (20)Enthalpy of Vaporization: 45.1 kJ/mol; (21)Boiling Point: 233.37 °C at 760 mmHg; (22)Vapour Pressure: 0.085 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2ccoc2c(Br)c1
(2)InChI: InChI=1/C8H4BrFO/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4H
(3)InChIKey: TYBMMMOEVBNTDU-UHFFFAOYAU