Cas no 89026-53-9 (Butane, 2-chloro-1-(2-chloroethoxy)-)
89026-53-9 structure
Product Name:Butane, 2-chloro-1-(2-chloroethoxy)-
CAS No:89026-53-9
MF:C6H12Cl2O
MW:171.064880371094
CID:615475
PubChem ID:13197726
Update Time:2025-04-19
Butane, 2-chloro-1-(2-chloroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 2-chloro-1-(2-chloroethoxy)-
- 2-chloro-1-(2-chloroethoxy)butane
- 89026-53-9
- DTXSID30526581
-
- Inchi： 1S/C6H12Cl2O/c1-2-6(8)5-9-4-3-7/h6H,2-5H2,1H3
- InChI Key： DTOXYKAMOQYLOG-UHFFFAOYSA-N
- SMILES： ClC(COCCCl)CC
Computed Properties
- Exact Mass: 170.0265204g/mol
- Monoisotopic Mass: 170.0265204g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 59
- 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: 2.2
- Topological Polar Surface Area: 9.2?2
Butane, 2-chloro-1-(2-chloroethoxy)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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