Cas no 87486-42-8 (2,3-Pyrazinedione,5-chloro-1,4-dihydro-1,4-dimethyl-)
87486-42-8 structure
Product Name:2,3-Pyrazinedione,5-chloro-1,4-dihydro-1,4-dimethyl-
CAS No:87486-42-8
MF:C6H7ClN2O2
MW:174.584980249405
CID:729893
PubChem ID:343199
Update Time:2025-04-19
2,3-Pyrazinedione,5-chloro-1,4-dihydro-1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pyrazinedione,5-chloro-1,4-dihydro-1,4-dimethyl-
- 5-chloro-1,4-dimethylpyrazine-2,3-dione
-
- Inchi： 1S/C6H7ClN2O2/c1-8-3-4(7)9(2)6(11)5(8)10/h3H,1-2H3
- InChI Key： DPFWWFRPMFYFHV-UHFFFAOYSA-N
- SMILES： ClC1=CN(C)C(C(N1C)=O)=O
Computed Properties
- Exact Mass: 174.0196052g/mol
- Monoisotopic Mass: 174.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 249
- 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: 40.6?2
2,3-Pyrazinedione,5-chloro-1,4-dihydro-1,4-dimethyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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