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| CAS No.: | 919103-45-0 |
|---|---|
| Name: | 6-Iodoxindole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H6INO |
| Molecular Weight: | 259.046 |
| Synonyms: | 1,3-Dihydro-6-iodo-2H-indol-2-one; |
| Density: | 1.946 g/cm3 |
| Boiling Point: | 364.58 °C at 760 mmHg |
| Flash Point: | 174.292 °C |
| PSA: | 29.10000 |
| LogP: | 1.92380 |
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- Total:26 Page 1 of 1 1
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Specification
The 6-Iodo-2-oxindole, with the CAS registry number 919103-45-0, is also known as 1,3-Dihydro-6-iodo-2H-indol-2-one. This chemical's molecular formula is C8H6INO and molecular weight is 259.04. What's more, its systematic name is 6-Iodo-1,3-dihydro-2H-indol-2-one.
Physical properties of 6-Iodo-2-oxindole are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.86; (6)ACD/BCF (pH 7.4): 42.86; (7)ACD/KOC (pH 5.5): 512.68; (8)ACD/KOC (pH 7.4): 512.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 50.201 cm3; (15)Molar Volume: 133.128 cm3; (16)Polarizability: 19.901×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.946 g/cm3; (19)Flash Point: 174.292 °C; (20)Enthalpy of Vaporization: 61.078 kJ/mol; (21)Boiling Point: 364.58 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1I)NC(=O)C2
(2)Std. InChI: InChI=1S/C8H6INO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
(3)Std. InChIKey: UGEPVMQRMXPCMD-UHFFFAOYSA-N