Cas no 77527-88-9 (3-Octanone, 4-chloro-)
3-Octanone, 4-chloro- structure
Product Name:3-Octanone, 4-chloro-
CAS No:77527-88-9
MF:C8H15ClO
MW:162.657101869583
CID:550126
PubChem ID:12642228
Update Time:2025-04-19
3-Octanone, 4-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Octanone, 4-chloro-
- 4-Chloro-3-octanone
- 4-chlorooctan-3-one
- 1-ethylhexanoyl chloride
- SCHEMBL11053689
- 77527-88-9
- DTXSID90505392
- FFISFMVOMYBBIJ-UHFFFAOYSA-N
-
- Inchi: 1S/C8H15ClO/c1-3-5-6-7(9)8(10)4-2/h7H,3-6H2,1-2H3
- InChI Key: FFISFMVOMYBBIJ-UHFFFAOYSA-N
- SMILES: ClC(C(CC)=O)CCCC
Computed Properties
- Exact Mass: 162.08125
- Monoisotopic Mass: 162.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 101
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Octanone, 4-chloro- Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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