Cas no 51584-58-8 (Cyclopentanone, 2-(4-bromobutyl)-)
51584-58-8 structure
Product Name:Cyclopentanone, 2-(4-bromobutyl)-
CAS No:51584-58-8
MF:C9H15BrO
MW:219.118802309036
CID:361936
PubChem ID:14241667
Update Time:2025-04-19
Cyclopentanone, 2-(4-bromobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-(4-bromobutyl)-
- 2-(4-bromobutyl)cyclopentan-1-one
- 51584-58-8
- DTXSID20557849
-
- Inchi： 1S/C9H15BrO/c10-7-2-1-4-8-5-3-6-9(8)11/h8H,1-7H2
- InChI Key： HMAVNXGXALBQDB-UHFFFAOYSA-N
- SMILES： BrCCCCC1C(CCC1)=O
Computed Properties
- Exact Mass: 218.03065
- Monoisotopic Mass: 218.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 134
- 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: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclopentanone, 2-(4-bromobutyl)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
51584-58-8 (Cyclopentanone, 2-(4-bromobutyl)-) Related Products
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