Cas no 58830-36-7 (2-(2-Chlorophenyl)hexanenitrile)
58830-36-7 structure
Product Name:2-(2-Chlorophenyl)hexanenitrile
CAS No:58830-36-7
MF:C12H14ClN
MW:207.699262142181
CID:340759
Update Time:2023-08-03
2-(2-Chlorophenyl)hexanenitrile Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetonitrile, a-butyl-2-chloro-
- Benzeneacetonitrile, alpha-butyl-2-chloro-
- 2-(2-Chlorophenyl)hexanenitrile
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- Inchi： 1S/C12H14ClN/c1-2-3-6-10(9-14)11-7-4-5-8-12(11)13/h4-5,7-8,10H,2-3,6H2,1H3
- InChI Key： GHJVFISHBMQKFK-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(C#N)CCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 206
- Topological Polar Surface Area: 23.8
2-(2-Chlorophenyl)hexanenitrile Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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