Cas no 106230-25-5 (8-chlorooctan-4-one)
8-chlorooctan-4-one structure
Product Name:8-chlorooctan-4-one
CAS No:106230-25-5
MF:C8H15ClO
MW:162.657101869583
CID:1180419
PubChem ID:10942779
Update Time:2025-04-20
8-chlorooctan-4-one Chemical and Physical Properties
Names and Identifiers
-
- 8-chlorooctan-4-one
- ACMC-20m9w0
- 1-chloro-5-octanone
- CTK0G3590
- 1-chloro-octan-5-one
- 4-Octanone, 8-chloro-
- AKOS006388175
- ACMC-20m9w0; 1-chloro-5-octanone; CTK0G3590; 1-chloro-octan-5-one; 4-Octanone, 8-chloro-; AKOS006388175;
- DTXSID30449145
- 106230-25-5
-
- Inchi： 1S/C8H15ClO/c1-2-5-8(10)6-3-4-7-9/h2-7H2,1H3
- InChI Key： POHQIGCIXQDILA-UHFFFAOYSA-N
- SMILES： ClCCCCC(CCC)=O
Computed Properties
- Exact Mass: 162.0811428g/mol
- Monoisotopic Mass: 162.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 91.3
- 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
- Topological Polar Surface Area: 17.1?2
8-chlorooctan-4-one Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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