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CAS No.: | 1003711-55-4 |
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Name: | 2-Chloro-5-methoxy-3-nitropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H5ClN2O3 |
Molecular Weight: | 188.57 |
Synonyms: | 2-chloranyl-5-methoxy-3-nitro-pyridine;2-chloro-3-nitro-5-methoxypyridine; |
Density: | 1.445 g/cm3 |
Boiling Point: | 316.2 °C at 760 mmHg |
Flash Point: | 145 °C |
PSA: | 67.94000 |
LogP: | 2.17500 |
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The 2-Chloro-5-methoxy-3-nitropyridine has CAS registry number 1003711-55-4. This chemical's molecular formula is C6H5ClN2O3 and molecular weight is 188.5685. What's more, its systematic name is 2-Chloro-5-methoxy-3-nitropyridine.
Physical properties about 2-Chloro-5-methoxy-3-nitropyridine are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.1; (6)ACD/BCF (pH 7.4): 13.1; (7)ACD/KOC (pH 5.5): 219.43; (8)ACD/KOC (pH 7.4): 219.43; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 42.46 cm3; (15)Molar Volume: 130.4 cm3; (16)Polarizability: 16.83×10-24 cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.445 g/cm3; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 53.53 kJ/mol; (21)Boiling Point: 316.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000773 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cc(cnc1Cl)OC
(2) InChI: InChI=1/C6H5ClN2O3/c1-12-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
(3) InChIKey: AUHIVEPPZZIGNI-UHFFFAOYAO