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CAS No.: | 850429-64-0 |
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Name: | 4,5-DIFLUOROOXINDOLE |
Molecular Structure: | |
Formula: | C8H5F2NO |
Molecular Weight: | 169.13 |
Synonyms: | 4,5-Difluoro-1,3-dihydroindol-2-one;4,5-Difluorooxindole;,5-Difluoro-1,3-dihydro-2H-indol-2-one; |
Density: | 1.415 g/cm3 |
Melting Point: | 194-198 °C |
Boiling Point: | 294.7 °C at 760 mmHg |
Flash Point: | 132 °C |
Hazard Symbols: | Xi |
PSA: | 29.10000 |
LogP: | 1.59740 |
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The IUPAC name of 2H-Indol-2-one,4,5-difluoro-1,3-dihydro- is 4,5-difluoro-1,3-dihydroindol-2-one. With the CAS registry number 850429-64-0, it is also named as 4,5-Difluorooxindole. The product's categories are Blocks; Fluoro Compounds; Indoles Oxindoles; Indole / Indoline / Oxindole; Indoline & Oxindole. It should be stored in cold place. In addition, its molecular formula is C8H5F2NO and its molecular weight is 169.13.
The other characteristics of 2H-Indol-2-one,4,5-difluoro-1,3-dihydro- can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 37.28 cm3; (9)Molar Volume: 119.4 cm3; (10)Polarizability: 14.77×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.415 g/cm3; (13)Flash Point: 132 °C; (14)Melting Point: 194-198 °C; (15)Enthalpy of Vaporization: 53.44 kJ/mol; (16)Boiling Point: 294.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00159 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1c(F)ccc2c1CC(=O)N2
(2)InChI: InChI=1/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)
(3)InChIKey: YUPHSWQGQCGBQH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)
(5)Std. InChIKey: YUPHSWQGQCGBQH-UHFFFAOYSA-N