Cas no 156519-20-9 (3-Buten-2-one, 1,1,1-trichloro-4-methoxy-4-phenyl-)
156519-20-9 structure
Product Name:3-Buten-2-one, 1,1,1-trichloro-4-methoxy-4-phenyl-
CAS No:156519-20-9
MF:C11H9Cl3O2
MW:279.54696059227
CID:1332762
PubChem ID:71354057
Update Time:2025-04-20
3-Buten-2-one, 1,1,1-trichloro-4-methoxy-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1,1,1-trichloro-4-methoxy-4-phenyl-
- 1,1,1-trichloro-4-methoxy-4-phenylbut-3-en-2-one
- 156519-20-9
- DTXSID70778764
-
- Inchi： 1S/C11H9Cl3O2/c1-16-9(7-10(15)11(12,13)14)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： SDZUUSJFEZWWPU-UHFFFAOYSA-N
- SMILES： ClC(C(C=C(C1C=CC=CC=1)OC)=O)(Cl)Cl
Computed Properties
- Exact Mass: 277.96697
- Monoisotopic Mass: 277.966813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Buten-2-one, 1,1,1-trichloro-4-methoxy-4-phenyl- Related Literature
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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