Cas no 26035-71-2 (4(1H)-Pyrimidinone, 6-chloro-5-(2-oxopropyl)-)
26035-71-2 structure
Product Name:4(1H)-Pyrimidinone, 6-chloro-5-(2-oxopropyl)-
CAS No:26035-71-2
MF:C7H7ClN2O2
MW:186.595680475235
CID:1428207
PubChem ID:135746763
Update Time:2025-04-20
4(1H)-Pyrimidinone, 6-chloro-5-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 6-chloro-5-(2-oxopropyl)-
- 6-Chloro-5-(2-oxopropyl)-4(1H)-pyrimidinone
- DTXSID901264331
- 26035-71-2
-
- Inchi： 1S/C7H7ClN2O2/c1-4(11)2-5-6(8)9-3-10-7(5)12/h3H,2H2,1H3,(H,9,10,12)
- InChI Key： WAWXODIPZCLPJQ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(NC=N1)=O)CC(C)=O
Computed Properties
- Exact Mass: 186.01971
- Monoisotopic Mass: 186.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 294
- 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: -0.2
- Topological Polar Surface Area: 58.5?2
Experimental Properties
- PSA: 58.53
4(1H)-Pyrimidinone, 6-chloro-5-(2-oxopropyl)- Related Literature
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1. Agricultural
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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