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| CAS No.: | 923595-49-7 |
|---|---|
| Name: | 6-Chloro-3-iodoimidazo[1,2-b]pyridazine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H3ClIN3 |
| Molecular Weight: | 279.467 |
| Synonyms: | 6-Chloranyl-3-iodanyl-imidazo[1,2-b]pyridazine; |
| EINECS: | 200-001-2 |
| Density: | 2.346 g/cm3 |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 30.19000 |
| LogP: | 1.98730 |
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- Total:37 Page 1 of 1 1
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Specification
The 6-Chloro-3-iodoimidazo[1,2-b]pyridazine, with the CAS registry number 923595-49-7, is also known as 6-Chloranyl-3-iodanyl-imidazo[1,2-b]pyridazine. This chemical's molecular formula is C6H3ClIN3 and molecular weight is 278.91. What's more, its IUPAC name is the same with its product name.
Physical properties about 6-Chloro-3-iodoimidazo[1,2-b]pyridazine are: (1)ACD/LogP: 2.239; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.60; (6)ACD/BCF (pH 7.4): 29.60; (7)ACD/KOC (pH 5.5): 393.36; (8)ACD/KOC (pH 7.4): 393.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.832; (14)Molar Refractivity: 52.412 cm3; (15)Molar Volume: 119.142 cm3; (16)Polarizability: 20.778×10-24cm3; (17)Surface Tension: 67.61 dyne/cm; (18)Density: 2.346 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nn2c1ncc2I)Cl
(2) InChI: InChI=1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
(3) InChIKey: IWHCPHZAMFSDFM-UHFFFAOYSA-N