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| CAS No.: | 536760-29-9 |
|---|---|
| Name: | 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H9ClN2O3 |
| Molecular Weight: | 252.6538 |
| Synonyms: | 3-Chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone; |
| EINECS: | 823-671-9 |
| Density: | 1.456 g/cm3 |
| Boiling Point: | 412.167 °C at 760 mmHg |
| Flash Point: | 203.072 °C |
| PSA: | 66.13000 |
| LogP: | 3.04240 |
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Specification
The 3-Chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone, with the CAS registry number 536760-29-9, is also known as 3-Chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone. This chemical's molecular formula is C11H9ClN2O3 and molecular weight is 252.6538. What's more, its systematic name is 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one.
Physical properties about 3-Chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 62.407 cm3; (9)Molar Volume: 173.581 cm3; (10)Polarizability: 24.74×10-24 cm3; (11)Surface Tension: 61.364 dyne/cm; (12)Density: 1.456 g/cm3; (13)Flash Point: 203.072 °C; (14)Enthalpy of Vaporization: 66.475 kJ/mol; (15)Boiling Point: 412.167 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)N2C(=O)C(\Cl)=C/CC2
(2) InChI: InChI=1/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2
(3) InChIKey: DOUAPYNOGMHPFD-UHFFFAOYAK