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245762-36-1

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Basic Information
CAS No.: 245762-36-1
Name: 5-FLUORO-2,3-DIHYDROBENZOFURAN-7-CARBOXALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 245762-36-1 (5-FLUORO-2,3-DIHYDROBENZOFURAN-7-CARBOXALDEHYDE)
Formula: C9H7FO2
Molecular Weight: 166.152
Synonyms: 5-Fluoro-2,3-dihydrobenzofuran-7-carbaldehyde;5-Fluoro-2,3-dihydro-1-benzofuran-7-carbaldehyde;
Density: 1.324 g/cm3
Boiling Point: 276.2 °C at 760 mmHg
Flash Point: 117.2 °C
PSA: 26.30000
LogP: 1.57310
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Specification

The 7-Benzofurancarboxaldehyde,5-fluoro-2,3-dihydro-, with the CAS registry number 245762-36-1, is also known as 5-Fluoro-2,3-dihydrobenzofuran-7-carboxaldehyde. This chemical's molecular formula is C9H7FO2 and molecular weight is 166.15. What's more, its systematic name is 5-Fluoro-2,3-dihydro-1-benzofuran-7-carbaldehyde.

Physical properties of 7-Benzofurancarboxaldehyde,5-fluoro-2,3-dihydro- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.21; (6)ACD/BCF (pH 7.4): 21.21; (7)ACD/KOC (pH 5.5): 309.83; (8)ACD/KOC (pH 7.4): 309.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 42.16 cm3; (15)Molar Volume: 125.4 cm3; (16)Polarizability: 16.71×10-24 cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.324 g/cm3; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 51.47 kJ/mol; (21)Boiling Point: 276.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00487 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2CCOc2c(c1)C=O
(2)InChI: InChI=1S/C9H7FO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-5H,1-2H2
(3)InChIKey: PSKHGYXPIDMLIX-UHFFFAOYSA-N