Cas no 80453-23-2 (Octane, 1-chloro-2-(2-chloroethoxy)-)
80453-23-2 structure
Product Name:Octane, 1-chloro-2-(2-chloroethoxy)-
CAS No:80453-23-2
MF:C10H20Cl2O
MW:227.171201705933
CID:705596
PubChem ID:12752705
Update Time:2025-04-19
Octane, 1-chloro-2-(2-chloroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1-chloro-2-(2-chloroethoxy)-
- 1-chloro-2-(2-chloroethoxy)octane
- 80453-23-2
- DTXSID90508944
-
- Inchi： 1S/C10H20Cl2O/c1-2-3-4-5-6-10(9-12)13-8-7-11/h10H,2-9H2,1H3
- InChI Key： WAPKBOXZGPTSPK-UHFFFAOYSA-N
- SMILES： ClCC(CCCCCC)OCCCl
Computed Properties
- Exact Mass: 226.0891206g/mol
- Monoisotopic Mass: 226.0891206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 98.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 9.2?2
Octane, 1-chloro-2-(2-chloroethoxy)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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