Cas no 72884-69-6 (5-Dodecanone, 1-chloro-)
5-Dodecanone, 1-chloro- structure
Product Name:5-Dodecanone, 1-chloro-
CAS No:72884-69-6
MF:C12H23ClO
MW:218.763423204422
CID:543316
PubChem ID:12525258
Update Time:2025-04-19
5-Dodecanone, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 5-Dodecanone, 1-chloro-
- 1-chlorododecan-5-one
- 72884-69-6
- DTXSID80501343
- 12-chloro-8-dodecanone
-
- Inchi： 1S/C12H23ClO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-11H2,1H3
- InChI Key： LLOQZYDIWZWODO-UHFFFAOYSA-N
- SMILES： ClCCCCC(CCCCCCC)=O
Computed Properties
- Exact Mass: 218.14389
- Monoisotopic Mass: 218.1437430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 134
- 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: 4.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
5-Dodecanone, 1-chloro- 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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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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