Cas no 1005171-62-9 (2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide)
1005171-62-9 structure
Product Name:2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide
CAS No:1005171-62-9
MF:C9H8ClF3N2O2
MW:268.620231628418
CID:5687322
PubChem ID:59598164
Update Time:2023-09-25
2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL3778708
- 2-chloro-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
- 2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide
- A1-31526
- 1005171-62-9
- 2-chloro-N-methoxy-N-methyl-6-trifluoromethyl-nicotinamide
-
- Inchi： 1S/C9H8ClF3N2O2/c1-15(17-2)8(16)5-3-4-6(9(11,12)13)14-7(5)10/h3-4H,1-2H3
- InChI Key： KQCOEHWYYOTOJV-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N(C)OC)=O)C=CC(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 268.0226397g/mol
- Monoisotopic Mass: 268.0226397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 42.4?2
2-Chloro-N-methoxy-N-methyl-6-(trifluoromethyl)nicotinamide Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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