Cas no 61456-95-9 (Pyrimidine, 4,6-dichloro-2-(2-methylpropyl)-5-nitro-)
61456-95-9 structure
Product Name:Pyrimidine, 4,6-dichloro-2-(2-methylpropyl)-5-nitro-
CAS No:61456-95-9
MF:C8H9Cl2N3O2
MW:250.081959486008
CID:478604
PubChem ID:12320336
Update Time:2025-04-19
Pyrimidine, 4,6-dichloro-2-(2-methylpropyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-dichloro-2-(2-methylpropyl)-5-nitro-
- 4,6-dichloro-2-(2-methylpropyl)-5-nitropyrimidine
- DTXSID10488390
- SY347984
- 4,6-Dichloro-2-isobutyl-5-nitropyrimidine
- MFCD22042034
- 61456-95-9
-
- Inchi： 1S/C8H9Cl2N3O2/c1-4(2)3-5-11-7(9)6(13(14)15)8(10)12-5/h4H,3H2,1-2H3
- InChI Key： LECDQDISSPODIE-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(CC(C)C)=N1)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 249.00737
- Monoisotopic Mass: 249.0071819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 222
- 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: 3.6
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 68.92
Pyrimidine, 4,6-dichloro-2-(2-methylpropyl)-5-nitro- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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