Cas no 53778-21-5 (Cyclopentanone, 2,5-dibromo-)
Cyclopentanone, 2,5-dibromo- structure
Product Name:Cyclopentanone, 2,5-dibromo-
CAS No:53778-21-5
MF:C5H6Br2O
MW:241.908540248871
CID:1585566
PubChem ID:10944585
Update Time:2025-04-21
Cyclopentanone, 2,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2,5-dibromo-
- 2,5-dibromocyclopentan-1-one
- 53778-21-5
- DTXSID60449315
-
- Inchi： 1S/C5H6Br2O/c6-3-1-2-4(7)5(3)8/h3-4H,1-2H2
- InChI Key： NCQGXAFVNKDKRW-UHFFFAOYSA-N
- SMILES： BrC1C(C(CC1)Br)=O
Computed Properties
- Exact Mass: 239.87848
- Monoisotopic Mass: 239.87854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclopentanone, 2,5-dibromo- Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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