Cas no 1577-95-3 (1,3-Dibromooctan-2-one)
1,3-Dibromooctan-2-one structure
Product Name:1,3-Dibromooctan-2-one
CAS No:1577-95-3
MF:C8H14Br2O
MW:286.00416135788
CID:2656419
PubChem ID:53440209
Update Time:2025-04-21
1,3-Dibromooctan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dibromo-2-octanone
- 1,3-dibromooctan-2-one
- SCHEMBL24496534
- DTXSID50702426
- 1577-95-3
- 1,3-Dibromooctan-2-one
-
- Inchi： 1S/C8H14Br2O/c1-2-3-4-5-7(10)8(11)6-9/h7H,2-6H2,1H3
- InChI Key： HKOOGYYHLSPIJR-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)CCCCC
Computed Properties
- Exact Mass: 285.93909Da
- Monoisotopic Mass: 283.94114Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 115
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
1,3-Dibromooctan-2-one Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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