Cas no 811470-76-5 (4-Hexen-3-one, 4-bromo-)
4-Hexen-3-one, 4-bromo- structure
Product Name:4-Hexen-3-one, 4-bromo-
CAS No:811470-76-5
MF:C6H9BrO
MW:177.039061307907
CID:715297
PubChem ID:57358764
Update Time:2025-04-19
4-Hexen-3-one, 4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexen-3-one, 4-bromo-
- 4-bromohex-4-en-3-one
- 811470-76-5
- DTXSID20724231
-
- Inchi： 1S/C6H9BrO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3
- InChI Key： CLMCVDJPNABWMJ-UHFFFAOYSA-N
- SMILES： BrC(=CC)C(CC)=O
Computed Properties
- Exact Mass: 175.98368g/mol
- Monoisotopic Mass: 175.98368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
4-Hexen-3-one, 4-bromo- Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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