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CAS No.: | 174603-42-0 |
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Name: | 6-FLUORO-4-METHYLINDAN-1-ONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H9FO |
Molecular Weight: | 164.1763 |
Synonyms: | 6-FLUORO-4-METHYLINDAN-1-ONE;6-Fluoro-4-Methyl-2,3-dihydro-1H-inden-1-one |
Density: | 1.212 g/cm3 |
Boiling Point: | 271.305 °C at 760 mmHg |
Flash Point: | 102.783 °C |
PSA: | 17.07000 |
LogP: | 2.26300 |
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The 1H-Inden-1-one, 6-fluoro-2,3-dihydro-4-methyl-, with the CAS registry number 174603-42-0, is also known as 6-Fluoro-4-methylindan-1-one. This chemical's molecular formula is C10H9FO and molecular weight is 164.1762632. Its systematic name is called 6-fluoro-4-methyl-2,3-dihydro-1H-inden-1-one.
Physical properties of 1H-Inden-1-one, 6-fluoro-2,3-dihydro-4-methyl-: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 62; (5)ACD/BCF (pH 7.4): 62; (6)ACD/KOC (pH 5.5): 668; (7)ACD/KOC (pH 7.4): 668; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 43.376 cm3; (11)Molar Volume: 135.507 cm3; (12)Surface Tension: 41.201 dyne/cm; (13)Density: 1.212 g/cm3; (14)Flash Point: 102.783 °C; (15)Enthalpy of Vaporization: 50.953 kJ/mol; (16)Boiling Point: 271.305 °C at 760 mmHg; (17)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(c(c1)C)CCC2=O
(2)InChI: InChI=1/C10H9FO/c1-6-4-7(11)5-9-8(6)2-3-10(9)12/h4-5H,2-3H2,1H3
(3)InChIKey: XFAXYSVQFDBFSK-UHFFFAOYAJ