Cas no 169335-45-9 (2-Pyrazinecarboxylicacid, 5-chloro-, nonyl ester)
169335-45-9 structure
Product Name:2-Pyrazinecarboxylicacid, 5-chloro-, nonyl ester
CAS No:169335-45-9
MF:C14H21ClN2O2
MW:284.781742811203
CID:220279
PubChem ID:406082
Update Time:2025-04-19
2-Pyrazinecarboxylicacid, 5-chloro-, nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxylicacid, 5-chloro-, nonyl ester
- nonyl 5-chloropyrazine-2-carboxylate
- AC1L8Q4W
- AC1Q6795
- AG-J-54776
- AR-1K7946
- CHEMBL117543
- CTK4D3270
- NSC724000
- NSC-724000
- DTXSID50328105
- 169335-45-9
- 5-Chloro-pyrazine-2-carboxylic acid nonyl ester
-
- Inchi： 1S/C14H21ClN2O2/c1-2-3-4-5-6-7-8-9-19-14(18)12-10-17-13(15)11-16-12/h10-11H,2-9H2,1H3
- InChI Key： FWCNZZHMKBQNLO-UHFFFAOYSA-N
- SMILES： ClC1=CN=C(C=N1)C(=O)OCCCCCCCCC
Computed Properties
- Exact Mass: 284.12933
- Monoisotopic Mass: 284.129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 252
- 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: 4.4
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- Density: 1.104
- Boiling Point: 368.1°C at 760 mmHg
- Flash Point: 176.4°C
- Refractive Index: 1.502
- PSA: 52.08
- LogP: 4.03740
2-Pyrazinecarboxylicacid, 5-chloro-, nonyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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