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| CAS No.: | 214701-31-2 |
|---|---|
| Name: | 3-Acetyl-6-chloropyridazine |
| Molecular Structure: | |
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| Formula: | C6H5ClN2O |
| Molecular Weight: | 156.572 |
| Synonyms: | 1-(6-Chloropyridazin-3-yl)ethanone; |
| Density: | 1.312 g/cm3 |
| Boiling Point: | 343.874 °C at 760 mmHg |
| Flash Point: | 161.77 °C |
| PSA: | 42.85000 |
| LogP: | 1.33260 |
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Specification
The Ethanone, 1-(6-chloro-3-pyridazinyl)-, with the CAS registry number 214701-31-2, is also known as 3-Acetyl-6-chloropyridazine. This chemical's molecular formula is C6H5ClN2O and molecular weight is 156.5697. What's more, its systematic name is called 1-(6-Chloropyridazin-3-yl)ethanone.
Physical properties about Ethanone, 1-(6-chloro-3-pyridazinyl)- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.218; (4)ACD/LogD (pH 7.4): 0.218; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.293; (8)ACD/KOC (pH 7.4): 31.293; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 37.358 cm3; (15)Molar Volume: 119.362 cm3; (16)Surface Tension: 49.51 dyne/cm; (17)Density: 1.312 g/cm3; (18)Flash Point: 161.77 °C; (19)Enthalpy of Vaporization: 58.778 kJ/mol; (20)Boiling Point: 343.874 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1ccc(nn1)Cl
(2) InChI: InChI=1/C6H5ClN2O/c1-4(10)5-2-3-6(7)9-8-5/h2-3H,1H3
(3) InChIKey: FSVMLIDYMQRPDD-UHFFFAOYAJ