Cas no 389605-72-5 (Benzenesulfonamide, N-(2-methoxyethyl)-N-methyl-4-nitro-)
389605-72-5 structure
Product Name:Benzenesulfonamide, N-(2-methoxyethyl)-N-methyl-4-nitro-
CAS No:389605-72-5
MF:C10H14N2O5S
MW:274.293561458588
CID:1496549
Update Time:2024-08-24
Benzenesulfonamide, N-(2-methoxyethyl)-N-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide, N-(2-methoxyethyl)-N-methyl-4-nitro-
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- Inchi： 1S/C10H14N2O5S/c1-11(7-8-17-2)18(15,16)10-5-3-9(4-6-10)12(13)14/h3-6H,7-8H2,1-2H3
- InChI Key： NDKMEXCRPMLNLJ-UHFFFAOYSA-N
- SMILES： C1(S(N(CCOC)C)(=O)=O)=CC=C([N+]([O-])=O)C=C1
Computed Properties
- Exact Mass: 274.06242
- Monoisotopic Mass: 274.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 365
- 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
- Topological Polar Surface Area: 101A^2
Experimental Properties
- Density: 1.330±0.06 g/cm3(Predicted)
- Boiling Point: 415.1±55.0 °C(Predicted)
- PSA: 89.75
- pka: -7.34±0.70(Predicted)
Benzenesulfonamide, N-(2-methoxyethyl)-N-methyl-4-nitro- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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