Cas no 1374190-96-1 (3-Quinolinecarboxamide, 4,6-dichloro-N-methoxy-N-methyl-)
1374190-96-1 structure
Product Name:3-Quinolinecarboxamide, 4,6-dichloro-N-methoxy-N-methyl-
CAS No:1374190-96-1
MF:C12H10Cl2N2O2
MW:285.126000881195
CID:2123843
Update Time:2023-11-19
3-Quinolinecarboxamide, 4,6-dichloro-N-methoxy-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,6-dichloro-N-methoxy-N-methyl-3-Quinolinecarboxamide
- BDTKCLOOASGGDF-UHFFFAOYSA-N
- 4,6-dichloro-quinoline-3-carboxylic acid methoxy-methyl-amide
- CID 86709595
- 3-Quinolinecarboxamide, 4,6-dichloro-N-methoxy-N-methyl-
-
- Inchi： 1S/C12H10Cl2N2O2/c1-16(18-2)12(17)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,1-2H3
- InChI Key： BDTKCLOOASGGDF-UHFFFAOYSA-N
- SMILES： ClC1C(C(N(C)OC)=O)=CN=C2C=CC(=CC2=1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 317
- Topological Polar Surface Area: 42.4
Experimental Properties
- Density: 1.409±0.06 g/cm3(Predicted)
- Boiling Point: 450.5±45.0 °C(Predicted)
- pka: 0.84±0.27(Predicted)
3-Quinolinecarboxamide, 4,6-dichloro-N-methoxy-N-methyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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