Cas no 27363-59-3 (2,4-Hexanedione,6-(2-chlorophenyl)-)
27363-59-3 structure
Product Name:2,4-Hexanedione,6-(2-chlorophenyl)-
CAS No:27363-59-3
MF:C12H13ClO2
MW:224.683422803879
CID:283297
PubChem ID:276491
Update Time:2025-04-19
2,4-Hexanedione,6-(2-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexanedione,6-(2-chlorophenyl)-
- 6-(2-chlorophenyl)hexane-2,4-dione
- 27363-59-3
- DTXSID50298596
- NSC-124479
- NSC124479
-
- Inchi： 1S/C12H13ClO2/c1-9(14)8-11(15)7-6-10-4-2-3-5-12(10)13/h2-5H,6-8H2,1H3
- InChI Key： AQBNBRUCMDVKPI-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1CCC(CC(C)=O)=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: 5
- Complexity: 238
- 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: 2.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Hexanedione,6-(2-chlorophenyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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