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CAS No.: | 75680-92-1 |
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Name: | 6-Chloro-pyridazine-3-carboxylic acid ethyl ester |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H7ClN2O2 |
Molecular Weight: | 186.60 |
Synonyms: | Ethyl6-chloro-3-pyridazinecarboxylate; |
Density: | 1.312 g/cm3 |
Melting Point: | 147-149 °C |
Boiling Point: | 320.129 °C at 760 mmHg |
Flash Point: | 147.409 °C |
PSA: | 52.08000 |
LogP: | 1.30670 |
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This chemical is called Ethyl 6-chloropyridazine-3-carboxylate, and it can also be named as 3-pyridazinecarboxylic acid, 6-chloro-, ethyl ester. With the molecular formula of C7H7ClN2O2, its molecular weight is 186.60. The CAS registry number of this chemical is 75680-92-1.
Other characteristics of the Ethyl 6-chloropyridazine-3-carboxylate can be summarised as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 77; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 43.736 cm3; (15)Molar Volume: 142.231 cm3; (16)Polarizability: 17.338×10-24cm3; (17)Surface Tension: 48.877 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 147.409 °C; (20)Enthalpy of Vaporization: 56.177 kJ/mol; (21)Boiling Point: 320.129 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1nnc(C(=O)OCC)cc1
2.InChI: InChI=1/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3 CopyCopied
3.InChIKey: GVSVPKDEHFOXSW-UHFFFAOYAA