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| CAS No.: | 136117-72-1 |
|---|---|
| Name: | 6-BROMO-2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H6BrClN2 |
| Molecular Weight: | 245.506 |
| Synonyms: | 6-BROMO-2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE; |
| Density: | 1.73g/cm3 |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 17.30000 |
| LogP: | 2.83560 |
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Specification
The 6-Bromo-2-(chloromethyl)imidazo[1,2-a]pyridine, with cas registry number 136117-72-1, belongs to the following product categories: (1)Methyl Halides; (2)Fused Ring Systems; (3)Methyl Halides. Its systematic name and its IUPAC name are the same, which is 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine.
Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 32.72; (6)ACD/BCF (pH 7.4): 36.86; (7)ACD/KOC (pH 5.5): 408.33; (8)ACD/KOC (pH 7.4): 459.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.3 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 53.47 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 21.2×10-24cm3; (17)Surface Tension: 51.7 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cn2cc(nc2cc1)CCl
(2)InChI: InChI=1/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2
(3)InChIKey: YEXHHHNCGSIJLI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2
(5)Std. InChIKey: YEXHHHNCGSIJLI-UHFFFAOYSA-N