Cas no 88726-00-5 (Octanenitrile, 4-chloro-)
Octanenitrile, 4-chloro- structure
Product Name:Octanenitrile, 4-chloro-
CAS No:88726-00-5
MF:C8H14ClN
MW:159.656461238861
CID:622994
PubChem ID:23266303
Update Time:2025-04-19
Octanenitrile, 4-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octanenitrile, 4-chloro-
- 4-chlorooctanenitrile
- DTXSID00631934
- 88726-00-5
-
- Inchi： 1S/C8H14ClN/c1-2-3-5-8(9)6-4-7-10/h8H,2-6H2,1H3
- InChI Key： MNXDCXISERBTRR-UHFFFAOYSA-N
- SMILES： ClC(CCC#N)CCCC
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: 2.7
- Topological Polar Surface Area: 23.8?2
Octanenitrile, 4-chloro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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