Cas no 61456-96-0 (Pyrimidine, 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitro-)
61456-96-0 structure
Product Name:Pyrimidine, 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitro-
CAS No:61456-96-0
MF:C9H11Cl2N3O2
MW:264.108539819717
CID:478603
PubChem ID:12320338
Update Time:2025-04-19
Pyrimidine, 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitro-
- 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitropyrimidine
- 61456-96-0
- DTXSID70488391
-
- Inchi： 1S/C9H11Cl2N3O2/c1-9(2,3)4-5-12-7(10)6(14(15)16)8(11)13-5/h4H2,1-3H3
- InChI Key： TWTCISRTORYCPJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(CC(C)(C)C)=N1)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 263.02303
- Monoisotopic Mass: 263.0228320g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 4
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 68.92
Pyrimidine, 4,6-dichloro-2-(2,2-dimethylpropyl)-5-nitro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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