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CAS No.: | 36145-27-4 |
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Name: | 2-CHLORO-N-(6-METHOXYPYRIDIN-3-YL)ACETAMIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H9ClN2O2 |
Molecular Weight: | 200.625 |
Synonyms: | N-(6-Methoxy-3-pyridyl)-a-chloroacetamide;2-Chloro-N-(6-methoxypyridin-3-yl)acetamide; |
Density: | 1.327 g/cm3 |
Boiling Point: | 371.1 °C at 760 mmHg |
Flash Point: | 178.2 °C |
PSA: | 54.71000 |
LogP: | 1.91700 |
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The Acetamide,2-chloro-N-(6-methoxy-3-pyridinyl)-, with the CAS registry number 36145-27-4, is also known as N-(6-Methoxy-3-pyridyl)-a-chloroacetamide. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.62. What's more, its systematic name is 2-Chloro-N-(6-methoxypyridin-3-yl)acetamide.
Physical properties of Acetamide,2-chloro-N-(6-methoxy-3-pyridinyl)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.1; (6)ACD/BCF (pH 7.4): 8.11; (7)ACD/KOC (pH 5.5): 155.52; (8)ACD/KOC (pH 7.4): 155.76; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 50.14 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 19.87×10-24 cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.327 g/cm3; (19)Flash Point: 178.2 °C; (20)Enthalpy of Vaporization: 61.81 kJ/mol; (21)Boiling Point: 371.1 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=NC=C(C=C1)NC(=O)CCl
(2)InChI: InChI=1S/C8H9ClN2O2/c1-13-8-3-2-6(5-10-8)11-7(12)4-9/h2-3,5H,4H2,1H3,(H,11,12)
(3)InChIKey: LEISKMLCFDOLEJ-UHFFFAOYSA-N