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555155-07-2

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Basic Information
CAS No.: 555155-07-2
Name: 7-Benzofurancarboxaldehyde,4-fluoro-(9CI)
Article Data: 6
Molecular Structure:
Molecular Structure of 555155-07-2 (7-Benzofurancarboxaldehyde,4-fluoro-(9CI))
Formula: C9H5FO2
Molecular Weight: 164.14
Synonyms: 4-Fluoro-7-Benzofurancarboxaldehyde;4-Fluoro-1-benzofuran-7-carbaldehyde;
Density: 1.342 g/cm3
Boiling Point: 260.6 °C at 760 mmHg
Flash Point: 111.4 °C
Appearance: Light yellow solid
Hazard Symbols: IrritantXi
PSA: 30.21000
LogP: 2.38440
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Specification

The 7-Benzofurancarboxaldehyde,4-fluoro-(9CI), with the CAS registry number 555155-07-2, is also known as 4-Fluoro-7-Benzofurancarboxaldehyde. This chemical's molecular formula is C9H5FO2 and molecular weight is 164.14. What's more, its systematic name is 4-Fluoro-1-benzofuran-7-carbaldehyde and it belongs to the product category of Halide.

Physical properties of 7-Benzofurancarboxaldehyde,4-fluoro-(9CI) are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.23; (6)ACD/BCF (pH 7.4): 18.23; (7)ACD/KOC (pH 5.5): 278.08; (8)ACD/KOC (pH 7.4): 278.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 43.14 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 17.1×10-24 cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.342 g/cm3; (19)Flash Point: 111.4 °C; (20)Enthalpy of Vaporization: 49.83 kJ/mol; (21)Boiling Point: 260.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C=O)c2occc12
(2)InChI: InChI=1S/C9H5FO2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-5H
(3)InChIKey: MBVFRSJFKMJRHA-UHFFFAOYSA-N