Cas no 88346-61-6 (Pyrazine, 2,5-dibutyl-3,6-dichloro-)
88346-61-6 structure
Product Name:Pyrazine, 2,5-dibutyl-3,6-dichloro-
CAS No:88346-61-6
MF:C12H18Cl2N2
MW:261.190721035004
CID:636205
PubChem ID:13143722
Update Time:2025-04-19
Pyrazine, 2,5-dibutyl-3,6-dichloro- Chemical and Physical Properties
Names and Identifiers
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- Pyrazine, 2,5-dibutyl-3,6-dichloro-
- 2,5-dibutyl-3,6-dichloropyrazine
- DTXSID00521523
- 88346-61-6
-
- Inchi： 1S/C12H18Cl2N2/c1-3-5-7-9-11(13)16-10(8-6-4-2)12(14)15-9/h3-8H2,1-2H3
- InChI Key： SXCQJJMBCPTSMU-UHFFFAOYSA-N
- SMILES： ClC1C(CCCC)=NC(=C(CCCC)N=1)Cl
Computed Properties
- Exact Mass: 260.0847040g/mol
- Monoisotopic Mass: 260.0847040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 170
- 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: 5.2
- Topological Polar Surface Area: 25.8?2
Pyrazine, 2,5-dibutyl-3,6-dichloro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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