Cas no 57024-79-0 (Hexanal, 2,2-dibromo-)
Hexanal, 2,2-dibromo- structure
Product Name:Hexanal, 2,2-dibromo-
CAS No:57024-79-0
MF:C6H10Br2O
MW:257.95100069046
CID:346888
PubChem ID:12629053
Update Time:2025-04-19
Hexanal, 2,2-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanal, 2,2-dibromo-
- 2,2-dibromohexanal
- DTXSID50504922
- 2,2-dibromo-hexanal
- 57024-79-0
-
- Inchi： 1S/C6H10Br2O/c1-2-3-4-6(7,8)5-9/h5H,2-4H2,1H3
- InChI Key： PBKHEHLAGUKNBM-UHFFFAOYSA-N
- SMILES： BrC(C=O)(CCCC)Br
Computed Properties
- Exact Mass: 255.9098
- Monoisotopic Mass: 255.90984g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 91.1
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Hexanal, 2,2-dibromo- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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