Cas no 53268-45-4 (1,3-Dibromo-2-hexanone)
1,3-Dibromo-2-hexanone structure
Product Name:1,3-Dibromo-2-hexanone
CAS No:53268-45-4
MF:C6H10Br2O
MW:257.95100069046
CID:2185186
PubChem ID:53440484
Update Time:2025-04-21
1,3-Dibromo-2-hexanone Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dibromo-2-hexanone
- 1,3-dibromohexan-2-one
- DB-311444
- DTXSID60702614
- 53268-45-4
-
- Inchi： 1S/C6H10Br2O/c1-2-3-5(8)6(9)4-7/h5H,2-4H2,1H3
- InChI Key： FCHFPBYCYOVJIE-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)CCC
Computed Properties
- Exact Mass: 257.90779Da
- Monoisotopic Mass: 255.90984Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
1,3-Dibromo-2-hexanone Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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