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| CAS No.: | 149733-71-1 |
|---|---|
| Name: | 2-Fluorocinnamaldehyde |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H7FO |
| Molecular Weight: | 150.152 |
| Synonyms: | (E)-3-(2-Fluorophenyl)-2-propenal; |
| Density: | 1.138 g/cm3 |
| Boiling Point: | 245.6 °C at 760 mmHg |
| Flash Point: | 91.3 °C |
| PSA: | 17.07000 |
| LogP: | 2.03780 |
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- Total:14 Page 1 of 1 1
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Specification
The 2-Fluorocinnamaldehyde, with the CAS registry number of 149733-71-1, is also known as (E)-3-(2-Fluorophenyl)-2-propenal. This chemical's molecular formula is C9H7FO and molecular weight is 150.15. What's more, its IUPAC name is (E)-3-(2-Fluorophenyl)prop-2-enal.
Physical properties about the 2-Fluorocinnamaldehyde are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 42.32 cm3; (11)Molar Volume: 131.9 cm3; (12)Surface Tension: 37.3 dyne/cm; (13)Density: 1.138 g/cm3; (14)Flash Point: 91.3 °C; (15)Enthalpy of Vaporization: 48.27 kJ/mol; (16)Boiling Point: 245.6 °C at 760 mmHg; (17)Vapour Pressure: 0.0284 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:c1ccc(c(c1)C=CC=O)F
(2) InChI:InChI=1/C9H7FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(3) InChIKey:WMSYHZMJKDCFAK-HWKANZROBD