Cas no 108025-04-3 (Methanone, (2,4-dichlorophenyl)-5-pyrimidinyl-)
108025-04-3 structure
Product Name:Methanone, (2,4-dichlorophenyl)-5-pyrimidinyl-
CAS No:108025-04-3
MF:C11H6Cl2N2O
MW:253.084140300751
CID:1184821
PubChem ID:14719595
Update Time:2025-04-20
Methanone, (2,4-dichlorophenyl)-5-pyrimidinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2,4-dichlorophenyl)-5-pyrimidinyl-
- CWGZCJVQBXDWIS-UHFFFAOYSA-N
- 5-(2',4'-dichlorobenzoyl)pyrimidine
- SCHEMBL9822900
- 108025-04-3
- methanone,(2,4-dichlorophenyl)-5-pyrimidinyl-
-
- Inchi： 1S/C11H6Cl2N2O/c12-8-1-2-9(10(13)3-8)11(16)7-4-14-6-15-5-7/h1-6H
- InChI Key： CWGZCJVQBXDWIS-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(C1=CN=CN=C1)=O)Cl
Computed Properties
- Exact Mass: 251.98588
- Monoisotopic Mass: 251.9857182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 2.8
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
Methanone, (2,4-dichlorophenyl)-5-pyrimidinyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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