Cas no 2123-87-7 (Ethaneperoxoic acid, chloro-, 1,1-dimethylethyl ester)
2123-87-7 structure
Product Name:Ethaneperoxoic acid, chloro-, 1,1-dimethylethyl ester
CAS No:2123-87-7
MF:C6H11ClO3
MW:166.602741479874
CID:1399646
PubChem ID:55303495
Update Time:2025-04-20
Ethaneperoxoic acid, chloro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethaneperoxoic acid, chloro-, 1,1-dimethylethyl ester
- tert-butyl 2-chloroethaneperoxoate
- tert-Butyl chloroethaneperoxoate
- DTXSID20717749
- 2123-87-7
- AKOS006387356
- Tert.-Butylchlorperacetat
-
- Inchi： 1S/C6H11ClO3/c1-6(2,3)10-9-5(8)4-7/h4H2,1-3H3
- InChI Key： ZZCPMPZEDCCGRX-UHFFFAOYSA-N
- SMILES： ClCC(=O)OOC(C)(C)C
Computed Properties
- Exact Mass: 166.03973
- Monoisotopic Mass: 166.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 117
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Ethaneperoxoic acid, chloro-, 1,1-dimethylethyl ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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