Cas no 62688-88-4 (Butane, 1,1,1-trichloro-2-methoxy-2-methyl-)
62688-88-4 structure
Product Name:Butane, 1,1,1-trichloro-2-methoxy-2-methyl-
CAS No:62688-88-4
MF:C6H11Cl3O
MW:205.509939432144
CID:435093
PubChem ID:14399471
Update Time:2025-04-19
Butane, 1,1,1-trichloro-2-methoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 1,1,1-trichloro-2-methoxy-2-methyl-
- 1,1,1-trichloro-2-methoxy-2-methylbutane
- DTXSID10559832
- 62688-88-4
-
- Inchi： 1S/C6H11Cl3O/c1-4-5(2,10-3)6(7,8)9/h4H2,1-3H3
- InChI Key： NDYOVGCURXUKSH-UHFFFAOYSA-N
- SMILES： ClC(C(C)(CC)OC)(Cl)Cl
Computed Properties
- Exact Mass: 203.98773
- Monoisotopic Mass: 203.987548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 110
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Butane, 1,1,1-trichloro-2-methoxy-2-methyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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