Cas no 19853-76-0 (3,6-Dichloro-4-methyl-2-nitroaniline)
19853-76-0 structure
Product Name:3,6-Dichloro-4-methyl-2-nitroaniline
CAS No:19853-76-0
MF:C7H6Cl2N2O2
MW:221.040739536285
CID:2660087
Update Time:2023-08-06
3,6-Dichloro-4-methyl-2-nitroaniline Chemical and Physical Properties
Names and Identifiers
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- 3,6-Dichloro-4-methyl-2-nitroaniline
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- Inchi： 1S/C7H6Cl2N2O2/c1-3-2-4(8)6(10)7(5(3)9)11(12)13/h2H,10H2,1H3
- InChI Key： DPVPUNVOEZLJJV-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=CC=1C)Cl)N)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 209
- Topological Polar Surface Area: 71.8
3,6-Dichloro-4-methyl-2-nitroaniline Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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