Cas no 61645-49-6 (2(1H)-Azocinone, 3-chloro-5,6,7,8-tetrahydro-)
61645-49-6 structure
Product Name:2(1H)-Azocinone, 3-chloro-5,6,7,8-tetrahydro-
CAS No:61645-49-6
MF:C7H10ClNO
MW:159.613400936127
CID:471507
PubChem ID:71393781
Update Time:2025-04-19
2(1H)-Azocinone, 3-chloro-5,6,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Azocinone, 3-chloro-5,6,7,8-tetrahydro-
- 7-chloro-2,3,4,5-tetrahydro-1H-azocin-8-one
- DTXSID30815528
- 61645-49-6
- 3-Chloro-5,6,7,8-tetrahydroazocin-2(1H)-one
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- Inchi： 1S/C7H10ClNO/c8-6-4-2-1-3-5-9-7(6)10/h4H,1-3,5H2,(H,9,10)
- InChI Key： MABWABDOLJWUNX-UHFFFAOYSA-N
- SMILES： ClC1C(NCCCCC=1)=O
Computed Properties
- Exact Mass: 159.0452
- Monoisotopic Mass: 159.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2(1H)-Azocinone, 3-chloro-5,6,7,8-tetrahydro- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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