Cas no 61456-94-8 (Pyrimidine, 4,6-dichloro-2-(1-methylpropyl)-5-nitro-)
61456-94-8 structure
Product Name:Pyrimidine, 4,6-dichloro-2-(1-methylpropyl)-5-nitro-
CAS No:61456-94-8
MF:C8H9Cl2N3O2
MW:250.081959486008
CID:478605
PubChem ID:12320335
Update Time:2025-04-19
Pyrimidine, 4,6-dichloro-2-(1-methylpropyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-dichloro-2-(1-methylpropyl)-5-nitro-
- 2-butan-2-yl-4,6-dichloro-5-nitropyrimidine
- DTXSID00488389
- 61456-94-8
- 2-(Butan-2-yl)-4,6-dichloro-5-nitropyrimidine
-
- Inchi： 1S/C8H9Cl2N3O2/c1-3-4(2)8-11-6(9)5(13(14)15)7(10)12-8/h4H,3H2,1-2H3
- InChI Key： SMZAIABLLGAINL-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(C(C)CC)=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: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 68.92
Pyrimidine, 4,6-dichloro-2-(1-methylpropyl)-5-nitro- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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