Name: 4-Fluoro-7-bromobenzofuran
SKU: 253429-31-1

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Basic Information

Molecular Structure:
CAS No.:	253429-31-1
Name:	4-Fluoro-7-bromobenzofuran
Article Data:	12

Formula:	C₈H₄BrFO
Molecular Weight:	215.022
Synonyms:	7-Bromo-4-fluorobenzofuran;
Density:	1.697 g/cm³
Boiling Point:	232.617 °C at 760 mmHg
Flash Point:	94.484 °C
Hazard Symbols:	Xi
PSA:	13.14000
LogP:	3.33440

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Specification

This chemical is called Benzofuran, 7-bromo-4-fluoro-, and its systematic name is 7-Bromo-4-fluoro-1-benzofuran. With the molecular formula of C₈H₄BrFO, its molecular weight is 215.02. The CAS registry number of this chemical is 253429-31-1. Additionally, its product categories are Halides; Heterocycles.

Other characteristics of the Benzofuran, 7-bromo-4-fluoro- can be summarised as followings: (1)ACD/LogP: 3.55; (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): 237; (6)ACD/BCF (pH 7.4): 237; (7)ACD/KOC (pH 5.5): 1745; (8)ACD/KOC (pH 7.4): 1745; (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: 94.484 °C; (20)Enthalpy of Vaporization: 45.025 kJ/mol; (21)Boiling Point: 232.617 °C at 760 mmHg; (22)Vapour Pressure: 0.089 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(Br)c2occc12
2.InChI: InChI=1/C8H4BrFO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
3.InChIKey: IYRKPHRAECMQTJ-UHFFFAOYAX