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Name |
1H-Inden-1-one,5-fluoro-2,3-dihydro-6-methoxy- |
EINECS | N/A |
CAS No. | 83802-71-5 | Density | 1.257 g/cm3 |
PSA | 26.30000 | LogP | 1.96320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9FO2 | Boiling Point | 312 °C at 760 mmHg |
Molecular Weight | 180.1757 | Flash Point | 137.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-fluoro-6-methoxyindan-1-one; |
Article Data | 7 |
The 1H-Inden-1-one,5-fluoro-2,3-dihydro-6-methoxy-, with the CAS registry number 83802-71-5, is also known as 5-Fluoro-6-methoxyindan-1-one. This chemical's molecular formula is C10H9FO2 and molecular weight is 180.1757. Its systematic name is called 5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-one.
Physical properties of 1H-Inden-1-one,5-fluoro-2,3-dihydro-6-methoxy-: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 31.8; (5)ACD/BCF (pH 7.4): 31.8; (6)ACD/KOC (pH 5.5): 414.09; (7)ACD/KOC (pH 7.4): 414.09; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 45.22 cm3; (12)Molar Volume: 143.2 cm3; (13)Surface Tension: 41.5 dyne/cm; (14)Density: 1.257 g/cm3; (15)Flash Point: 137.9 °C; (16)Enthalpy of Vaporization: 55.3 kJ/mol; (17)Boiling Point: 312 °C at 760 mmHg; (18)Vapour Pressure: 0.000543 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2c(cc1F)CCC2=O
(2)InChI: InChI=1/C10H9FO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
(3)InChIKey: FFZRFPIFJVKURP-UHFFFAOYAS