Cas no 88725-97-7 (Octanenitrile, 7-chloro-)
Octanenitrile, 7-chloro- structure
Product Name:Octanenitrile, 7-chloro-
CAS No:88725-97-7
MF:C8H14ClN
MW:159.656461238861
CID:622997
PubChem ID:23266300
Update Time:2025-04-19
Octanenitrile, 7-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Octanenitrile, 7-chloro-
- 7-chlorooctanenitrile
- DTXSID20631931
- 88725-97-7
-
- Inchi： 1S/C8H14ClN/c1-8(9)6-4-2-3-5-7-10/h8H,2-6H2,1H3
- InChI Key： YYTWKVVIQCFCFZ-UHFFFAOYSA-N
- SMILES： ClC(C)CCCCCC#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: 2.6
- Topological Polar Surface Area: 23.8?2
Octanenitrile, 7-chloro- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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