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CAS No.: | 64067-99-8 |
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Name: | ETHYL 6-CHLOROIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H8ClN3O2 |
Molecular Weight: | 225.634 |
Synonyms: | 6-Chloroimidazo[1,2-b]pyridazine-2-carboxylicacid ethyl ester;Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate; |
Density: | 1.476 g/cm3 |
Melting Point: | 155-158 °C |
Appearance: | Brown solid |
Hazard Symbols: | Xi |
PSA: | 56.49000 |
LogP: | 1.55940 |
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The Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate is an organic compound with the formula C9H8ClN3O2. The IUPAC name of this chemical is ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate. With the CAS registry number 64067-99-8, it is also named as Imidazo[1,2-b]pyridazine-2-carboxylic acid, 6-chloro-, ethyl ester. The product's categories are Blocks; Carboxes; Imidazoles; Pyridines;Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Intermediates; Nucleotides.
Physical properties about Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate are: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.261; (3)ACD/LogD (pH 7.4): 3.261; (4)ACD/BCF (pH 5.5): 177.127; (5)ACD/BCF (pH 7.4): 177.128; (6)ACD/KOC (pH 5.5): 1415.567; (7)ACD/KOC (pH 7.4): 1415.573; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 56.49 Å2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 55.642 cm3; (13)Molar Volume: 152.909 cm3; (14)Polarizability: 22.058×10-24cm3; (15)Surface Tension: 52.733 dyne/cm; (16)Density: 1.476 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cn2c(n1)ccc(n2)Cl
(2)InChI: InChI=1/C9H8ClN3O2/c1-2-15-9(14)6-5-13-8(11-6)4-3-7(10)12-13/h3-5H,2H2,1H3
(3)InChIKey: AZEPEWATPYRPBM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-13-8(11-6)4-3-7(10)12-13/h3-5H,2H2,1H3
(5)Std. InChIKey: AZEPEWATPYRPBM-UHFFFAOYSA-N