Cas no 88725-98-8 (Octanenitrile, 6-chloro-)
Octanenitrile, 6-chloro- structure
Product Name:Octanenitrile, 6-chloro-
CAS No:88725-98-8
MF:C8H14ClN
MW:159.656461238861
CID:622996
PubChem ID:23266301
Update Time:2025-04-19
Octanenitrile, 6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octanenitrile, 6-chloro-
- 6-chlorooctanenitrile
- 88725-98-8
- DTXSID80631932
-
- Inchi： 1S/C8H14ClN/c1-2-8(9)6-4-3-5-7-10/h8H,2-6H2,1H3
- InChI Key： BGSQYPLIGSZLLX-UHFFFAOYSA-N
- SMILES： ClC(CC)CCCCC#N
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: 2.5
- Topological Polar Surface Area: 23.8?2
Octanenitrile, 6-chloro- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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