Cas no 898785-30-3 (1-(2-chloro-4-pyridyl)pentane-1,4-dione)
898785-30-3 structure
Product Name:1-(2-chloro-4-pyridyl)pentane-1,4-dione
CAS No:898785-30-3
MF:C10H10ClNO2
MW:211.644901752472
CID:1946637
PubChem ID:53427977
Update Time:2025-04-21
1-(2-chloro-4-pyridyl)pentane-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-CHLORO-4-PYRIDYL)-1,4-PENTANEDIONE
- 1-(2-chloro-4-pyridyl)pentane-1,4-dione
- LogP
- 1-(3-chloropyridin-4-yl)pentane-1,4-dione
- 898785-30-3
- DTXSID20699697
-
- Inchi： 1S/C10H10ClNO2/c1-7(13)2-3-10(14)8-4-5-12-6-9(8)11/h4-6H,2-3H2,1H3
- InChI Key： QDVHSYWECUNYSR-UHFFFAOYSA-N
- SMILES： ClC1C=NC=CC=1C(CCC(C)=O)=O
Computed Properties
- Exact Mass: 211.0400063Da
- Monoisotopic Mass: 211.0400063Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 230
- 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: 0.8
- Topological Polar Surface Area: 47?2
1-(2-chloro-4-pyridyl)pentane-1,4-dione Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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