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CAS No.: | 40851-91-0 |
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Name: | 6-Chloro-2-methoxy-3-nitropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H5ClN2O3 |
Molecular Weight: | 188.57 |
Synonyms: | 2-Chloro-6-methoxy-5-nitropyridine;6-Chloro-3-nitro-2-methoxypyridine; |
Density: | 1.446 g/cm3 |
Boiling Point: | 284.797 °C at 760 mmHg |
Flash Point: | 126.041 °C |
PSA: | 67.94000 |
LogP: | 2.17500 |
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The 6-Chloro-2-methoxy-3-nitropyridine is an organic compound with the formula C6H5ClN2O3. The systematic name of this chemical is 6-chloro-2-methoxy-3-nitropyridine. With the CAS registry number 40851-91-0, it is also named as pyridine, 6-chloro-2-methoxy-3-nitro-. The product's category is Pyridine Series.
Physical properties about 6-Chloro-2-methoxy-3-nitropyridine are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19; (5)ACD/BCF (pH 7.4): 19; (6)ACD/KOC (pH 5.5): 287; (7)ACD/KOC (pH 7.4): 287; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.94 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 42.463 cm3; (13)Molar Volume: 130.452 cm3; (14)Polarizability: 16.834×10-24cm3; (15)Surface Tension: 51.488 dyne/cm; (16)Density: 1.446 g/cm3; (17)Flash Point: 126.041 °C; (18)Enthalpy of Vaporization: 50.278 kJ/mol; (19)Boiling Point: 284.797 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(OC)nc(Cl)cc1
(2)InChI: InChI=1/C6H5ClN2O3/c1-12-6-4(9(10)11)2-3-5(7)8-6/h2-3H,1H3
(3)InChIKey: OVVBXVJFGCFEFK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H5ClN2O3/c1-12-6-4(9(10)11)2-3-5(7)8-6/h2-3H,1H3
(5)Std. InChIKey: OVVBXVJFGCFEFK-UHFFFAOYSA-N