Cas no 58289-15-9 (Pyrimidine, 2-butyl-4,6-dichloro-5-nitro-)
58289-15-9 structure
Product Name:Pyrimidine, 2-butyl-4,6-dichloro-5-nitro-
CAS No:58289-15-9
MF:C8H9Cl2N3O2
MW:250.081959486008
CID:342588
PubChem ID:12280647
Update Time:2025-04-19
Pyrimidine, 2-butyl-4,6-dichloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-butyl-4,6-dichloro-5-nitro-
- 2-butyl-4,6-dichloro-5-nitropyrimidine
- 2-n-butyl-4,6-dichloro-5-nitro-pyrimidine
- DTXSID40483994
- JNBSKCDUWHAODZ-UHFFFAOYSA-N
- SCHEMBL11679118
- 58289-15-9
-
- Inchi： 1S/C8H9Cl2N3O2/c1-2-3-4-5-11-7(9)6(13(14)15)8(10)12-5/h2-4H2,1H3
- InChI Key： JNBSKCDUWHAODZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(CCCC)=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: 3
- Complexity: 212
- 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: 3.7
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 68.92
Pyrimidine, 2-butyl-4,6-dichloro-5-nitro- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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