Cas no 63518-01-4 (2,4-Pentanedione, 1,5-dibromo-3,3-dimethyl-)
63518-01-4 structure
Product Name:2,4-Pentanedione, 1,5-dibromo-3,3-dimethyl-
CAS No:63518-01-4
MF:C7H10Br2O2
MW:285.961101055145
CID:426237
PubChem ID:15270162
Update Time:2025-04-19
2,4-Pentanedione, 1,5-dibromo-3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione, 1,5-dibromo-3,3-dimethyl-
- 1,5-dibromo-3,3-dimethylpentane-2,4-dione
- 63518-01-4
- SCHEMBL180091
- DTXSID10570769
-
- Inchi： 1S/C7H10Br2O2/c1-7(2,5(10)3-8)6(11)4-9/h3-4H2,1-2H3
- InChI Key： IRJWDDFWUQOGGM-UHFFFAOYSA-N
- SMILES： BrCC(C(C(CBr)=O)(C)C)=O
Computed Properties
- Exact Mass: 283.9047
- Monoisotopic Mass: 283.90475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 157
- 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: 2.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Pentanedione, 1,5-dibromo-3,3-dimethyl- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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