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| CAS No.: | 944896-82-6 |
|---|---|
| Name: | 5-Chloroimidazol[1,2-a]pyrimidine |
| Molecular Structure: | |
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| Formula: | C6H4ClN3 |
| Molecular Weight: | 153.571 |
| Synonyms: | Imidazo[1,2-a]pyrimidine, 5-chloro-; |
| Density: | 1.514 g/cm3 |
| PSA: | 30.19000 |
| LogP: | 1.38270 |
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- Total:16 Page 1 of 1 1
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Specification
The 5-Chloroimidazo[1,2-a]pyrimidine, with the CAS registry number 944896-82-6, is also known as Imidazo[1,2-a]pyrimidine, 5-chloro-. This chemical's molecular formula is C6H4ClN3 and molecular weight is 153.57. What's more, its systematic name is the same with its product name.
Physical properties about 5-Chloroimidazo[1,2-a]pyrimidine are: (1)ACD/LogP: 1.909; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.90; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.21; (6)ACD/BCF (pH 7.4): 16.61; (7)ACD/KOC (pH 5.5): 253.76; (8)ACD/KOC (pH 7.4): 260.10; (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: 1.713; (14)Molar Refractivity: 39.759 cm3; (15)Molar Volume: 101.447 cm3; (16)Polarizability: 15.762×10-24cm3; (17)Surface Tension: 57.1278 dyne/cm; (18)Density: 1.514 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc2nccn2c1Cl
(2) InChI: InChI=1S/C6H4ClN3/c7-5-1-2-8-6-9-3-4-10(5)6/h1-4H
(3) InChIKey: XYHBQBIMEMOMTJ-UHFFFAOYSA-N