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| CAS No.: | 721943-19-7 |
|---|---|
| Name: | 3-Benzofurancarboxaldehyde,5-fluoro-(9CI) |
| Molecular Structure: | |
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| Formula: | C9H5FO2 |
| Molecular Weight: | 164.13 |
| Synonyms: | 3-Benzofurancarboxaldehyde,5-fluoro-; |
| Density: | 1.343 g/cm3 |
| Melting Point: | 118-119℃ |
| Boiling Point: | 255.723 °C at 760 mmHg |
| Flash Point: | 108.458 °C |
| PSA: | 30.21000 |
| LogP: | 2.38440 |
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- Total:19 Page 1 of 1 1
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Specification
The 5-Fluorobenzofuran-3-carboxaldehyde, with the cas registry number 721943-19-7, is also called 3-Benzofurancarboxaldehyde,5-fluoro-. It belongs to the product category of Halide. And the molecular formula of the chemical is C9H5FO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.644; (4)ACD/LogD (pH 7.4): 1.644; (5)ACD/BCF (pH 5.5): 10.461; (6)ACD/BCF (pH 7.4): 10.461; (7)ACD/KOC (pH 5.5): 186.828; (8)ACD/KOC (pH 7.4): 186.828; (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: 1.624; (14)Molar Refractivity: 43.142 cm3; (15)Molar Volume: 122.219 cm3; (16)Polarizability: 17.103×10-24cm3; (17)Surface Tension: 45.41 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 108.458 °C; (20)Enthalpy of Vaporization: 49.321 kJ/mol; (21)Boiling Point: 255.723 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(cc1F)c(co2)C=O
(2)InChI: InChI=1/C9H5FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
(3)InChIKey: LUAQHOIIXDJUOY-UHFFFAOYAO