Cas no 58763-44-3 (3-Hexanone, 2-bromo-2,4,4-trimethyl-)
58763-44-3 structure
Product Name:3-Hexanone, 2-bromo-2,4,4-trimethyl-
CAS No:58763-44-3
MF:C9H17BrO
MW:221.134682416916
CID:340973
PubChem ID:71443369
Update Time:2025-04-19
3-Hexanone, 2-bromo-2,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 2-bromo-2,4,4-trimethyl-
- 2-bromo-2,4,4-trimethylhexan-3-one
- 58763-44-3
- DTXSID30852195
-
- Inchi: 1S/C9H17BrO/c1-6-8(2,3)7(11)9(4,5)10/h6H2,1-5H3
- InChI Key: YPAYLTPOZDMUKP-UHFFFAOYSA-N
- SMILES: BrC(C)(C)C(C(C)(C)CC)=O
Computed Properties
- Exact Mass: 220.04631
- Monoisotopic Mass: 220.04628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 159
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Hexanone, 2-bromo-2,4,4-trimethyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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