Cas no 88726-01-6 (Octanenitrile, 3-chloro-)
Octanenitrile, 3-chloro- structure
Product Name:Octanenitrile, 3-chloro-
CAS No:88726-01-6
MF:C8H14ClN
MW:159.656461238861
CID:622993
PubChem ID:23266304
Update Time:2025-04-19
Octanenitrile, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octanenitrile, 3-chloro-
- 3-chlorooctanenitrile
- DTXSID60631935
- 88726-01-6
- 3-chlorooctanonitrile
-
- Inchi： 1S/C8H14ClN/c1-2-3-4-5-8(9)6-7-10/h8H,2-6H2,1H3
- InChI Key： QWMQCOXRTKBVEI-UHFFFAOYSA-N
- SMILES： ClC(CC#N)CCCCC
Computed Properties
- Exact Mass: 159.0814771g/mol
- Monoisotopic Mass: 159.0814771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 114
- 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: 23.8?2
Octanenitrile, 3-chloro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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