Cas no 114423-31-3 (5-(3-chlorophenyl)pentanal)
5-(3-chlorophenyl)pentanal structure
Product Name:5-(3-chlorophenyl)pentanal
CAS No:114423-31-3
MF:C11H13ClO
MW:196.673322439194
CID:2612821
PubChem ID:14114279
Update Time:2025-04-21
5-(3-chlorophenyl)pentanal Chemical and Physical Properties
Names and Identifiers
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- 5-(3-chlorophenyl)pentanal
- DTXSID50556062
- SCHEMBL5541023
- 114423-31-3
-
- Inchi： 1S/C11H13ClO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-9H,1-3,5H2
- InChI Key： MVFSDMBIQXFOPZ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)CCCCC=O
Computed Properties
- Exact Mass: 196.0654927Da
- Monoisotopic Mass: 196.0654927Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 147
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
5-(3-chlorophenyl)pentanal Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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