Cas no 816-21-7 (2-Pentanone, 1,3-dibromo-)
2-Pentanone, 1,3-dibromo- structure
Product Name:2-Pentanone, 1,3-dibromo-
CAS No:816-21-7
MF:C5H8Br2O
MW:243.92442035675
CID:1804252
PubChem ID:12892932
Update Time:2025-04-21
2-Pentanone, 1,3-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dibromo-2-pentanone
- 2-Pentanone, 1,3-dibromo-
- 1,3-dibromopentan-2-one
- 816-21-7
- DTXSID50512461
-
- Inchi： 1S/C5H8Br2O/c1-2-4(7)5(8)3-6/h4H,2-3H2,1H3
- InChI Key： JZDMIXWJJOMMHB-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)CC
Computed Properties
- Exact Mass: 243.89214g/mol
- Monoisotopic Mass: 241.89419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.5
- 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: 2.5
- Topological Polar Surface Area: 17.1?2
2-Pentanone, 1,3-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
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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