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| CAS No.: | 115666-47-2 |
|---|---|
| Name: | 6-Iodoindole |
| Molecular Structure: | |
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| Formula: | C8H6IN |
| Molecular Weight: | 243.047 |
| Synonyms: | 6-IODOINDOLE;6-Iodo-1H-indole |
| Density: | 1.961g/cm3 |
| Melting Point: | 111.0-111.5℃ |
| Boiling Point: | 341.705 °C at 760 mmHg |
| Flash Point: | 160.458 °C |
| PSA: | 15.79000 |
| LogP: | 2.77250 |
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Specification
The CAS register number of 6-Iodoindole is 61545-41-3. The systematic name about this chemical is 6-iodo-1H-indole. The molecular formula about this chemical is C8H6IN and the molecular weight is 243.04684.
Physical properties about 6-Iodoindole are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 152; (5)ACD/BCF (pH 7.4): 152; (6)ACD/KOC (pH 5.5): 1270; (7)ACD/KOC (pH 7.4): 1270; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 15.79 Å2; (11)Index of Refraction: 1.769; (12)Molar Refractivity: 51.435 cm3; (13)Molar Volume: 123.944 cm3; (14)Polarizability: 20.391x10-24cm3; (15)Surface Tension: 60.955 dyne/cm; (16)Density: 1.961 g/cm3; (17)Flash Point: 160.458 °C; (18)Enthalpy of Vaporization: 56.222 kJ/mol; (19)Boiling Point: 341.705 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc2ccnc2c1
(2)InChI: InChI=1/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
(3)InChIKey: UYFYWUXBZHYQRM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
(5)Std. InChIKey: UYFYWUXBZHYQRM-UHFFFAOYSA-N