Cas no 58289-29-5 (2,6-dichloro-4-isopropyl-5-nitropyrimidine)
58289-29-5 structure
Product Name:2,6-dichloro-4-isopropyl-5-nitropyrimidine
CAS No:58289-29-5
MF:C7H7Cl2N3O2
MW:236.055379152298
CID:948310
PubChem ID:21445071
Update Time:2025-04-19
2,6-dichloro-4-isopropyl-5-nitropyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dichloro-4-isopropyl-5-nitropyrimidine
- 2,4-dichloro-5-nitro-6-propan-2-ylpyrimidine
- 2,4-DICHLORO-6-ISOPROPYL-5-NITROPYRIMIDINE
- DTXSID60613993
- 58289-29-5
- 2,4-dichloro-5-nitro-6-(2-propyl)-pyrimidine
- SCHEMBL8080508
- 2,4-Dichloro-5-nitro-6-(propan-2-yl)pyrimidine
- 2,4-dichloro-5-nitro-6-(2-propyl)pyrimidine
- XAWPMCSBONFQEC-UHFFFAOYSA-N
- DB-302506
-
- Inchi： 1S/C7H7Cl2N3O2/c1-3(2)4-5(12(13)14)6(8)11-7(9)10-4/h3H,1-2H3
- InChI Key： XAWPMCSBONFQEC-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C(C)C)=NC(=N1)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 234.9915319g/mol
- Monoisotopic Mass: 234.9915319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- 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: 3.1
- Topological Polar Surface Area: 71.6?2
2,6-dichloro-4-isopropyl-5-nitropyrimidine Related Literature
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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