Cas no 514218-28-1 (1h-pyrazole,4-chloro-1-(chloroacetyl)-)
514218-28-1 structure
Product Name:1h-pyrazole,4-chloro-1-(chloroacetyl)-
CAS No:514218-28-1
MF:C5H4Cl2N2O
MW:179.004058837891
CID:935315
PubChem ID:4142325
Update Time:2025-04-19
1h-pyrazole,4-chloro-1-(chloroacetyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1h-pyrazole,4-chloro-1-(chloroacetyl)-
- 514218-28-1
- 2-Chloro-1-(4-chloro-1H-pyrazol-1-yl)ethanone
- AKOS003792759
-
- Inchi： 1S/C5H4Cl2N2O/c6-1-5(10)9-3-4(7)2-8-9/h2-3H,1H2
- InChI Key： ZKWZMXOJLCIKPH-UHFFFAOYSA-N
- SMILES： ClC1C=NN(C=1)C(CCl)=O
Computed Properties
- Exact Mass: 177.9700681g/mol
- Monoisotopic Mass: 177.9700681g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 1.4
- Topological Polar Surface Area: 34.9?2
1h-pyrazole,4-chloro-1-(chloroacetyl)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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