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| CAS No.: | 174603-56-6 |
|---|---|
| Name: | 4-BROMO-6-FLUOROINDAN-1-ONE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H6BrFO |
| Molecular Weight: | 229.0457432 |
| Synonyms: | 4-BROMO-6-FLUOROINDAN-1-ONE;4-broMo-6-fluoro-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one,4-broMo-6-fluoro-2,3-dihydro- |
| Density: | 1.691 g/cm3 |
| Boiling Point: | 301.069 °C at 760 mmHg |
| Flash Point: | 135.882 °C |
| PSA: | 17.07000 |
| LogP: | 2.71710 |
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Specification
The 1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro-, with CAS registry number 174603-56-6, has the systematic name of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-one. Besides this, it is also called 4-Bromo-6-fluoroindan-1-one. And the chemical formula of this chemical is C9H6BrFO.
Physical properties of 1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro-: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 46.242 cm3; (9)Molar Volume: 135.416 cm3; (10)Polarizability: 18.332×10-24cm3; (11)Surface Tension: 47.817 dyne/cm; (12)Density: 1.691 g/cm3; (13)Flash Point: 135.882 °C; (14)Enthalpy of Vaporization: 54.118 kJ/mol; (15)Boiling Point: 301.069 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(c(Br)c1)CCC2=O
(2)InChI: InChI=1/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
(3)InChIKey: KBBCLUTZUIWTON-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
(5)Std. InChIKey: KBBCLUTZUIWTON-UHFFFAOYSA-N