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CAS No.: | 885168-12-7 |
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Name: | 2,3-DICHLORO-5-METHOXYPYRIDINE |
Molecular Structure: | |
Formula: | C6H5Cl2NO |
Molecular Weight: | 178.02 |
Synonyms: | 2,3-DICHLORO-5-METHOXYPYRIDINE;2,3-Dicholo-5-MEthoxypyridine |
Density: | 1.363g/cm3 |
Boiling Point: | 242.7 °C at 760 mmHg |
Flash Point: | 100.6 °C |
PSA: | 22.12000 |
LogP: | 2.39700 |
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The Pyridine,2,3-dichloro-5-methoxy-, with CAS registry number 885168-12-7, belongs to the following product category: Boronic Acid. It has the systematic name of pyridine, 2,3-dichloro-5-methoxy-. Besides this, it is also called 2,3-Dichloro-5-methoxypyridine. And the chemical formula of this chemical is C6H5Cl2NO.
Physical properties of Pyridine,2,3-dichloro-5-methoxy-: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.4; (6)ACD/BCF (pH 7.4): 77.4; (7)ACD/KOC (pH 5.5): 782.65; (8)ACD/KOC (pH 7.4): 782.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 40.81 cm3; (15)Molar Volume: 130.5 cm3; (16)Polarizability: 16.17×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.363 g/cm3; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 46.02 kJ/mol; (21)Boiling Point: 242.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0521 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(nc1)Cl)Cl
(2)InChI: InChI=1/C6H5Cl2NO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(3)InChIKey: JQHLCLPLUWFPFE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(5)Std. InChIKey: JQHLCLPLUWFPFE-UHFFFAOYSA-N