Cas no 583887-43-8 (2,5-Hexanedione, 3-(3-chlorophenyl)-)
583887-43-8 structure
Product Name:2,5-Hexanedione, 3-(3-chlorophenyl)-
CAS No:583887-43-8
MF:C12H13ClO2
MW:224.683422803879
CID:342247
PubChem ID:71443631
Update Time:2025-04-19
2,5-Hexanedione, 3-(3-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Hexanedione, 3-(3-chlorophenyl)-
- 3-(3-chlorophenyl)hexane-2,5-dione
- 583887-43-8
- DTXSID60852446
-
- Inchi： 1S/C12H13ClO2/c1-8(14)6-12(9(2)15)10-4-3-5-11(13)7-10/h3-5,7,12H,6H2,1-2H3
- InChI Key： BAGGAWZFVUIVFC-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C(C(C)=O)CC(C)=O
Computed Properties
- Exact Mass: 224.06049
- Monoisotopic Mass: 224.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 250
- 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: 1.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Hexanedione, 3-(3-chlorophenyl)- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
583887-43-8 (2,5-Hexanedione, 3-(3-chlorophenyl)-) Related Products
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