Cas no 87969-82-2 (Benzene, 1,3-dichloro-5-hexyl-)
87969-82-2 structure
Product Name:Benzene, 1,3-dichloro-5-hexyl-
CAS No:87969-82-2
MF:C12H16Cl2
MW:231.161441802979
CID:649913
PubChem ID:13215626
Update Time:2025-04-19
Benzene, 1,3-dichloro-5-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dichloro-5-hexyl-
- 1,3-dichloro-5-hexylbenzene
- SCHEMBL10441595
- 87969-82-2
- DTXSID40528839
-
- Inchi： 1S/C12H16Cl2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9H,2-6H2,1H3
- InChI Key： OUHJHMFOJKZEPX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)CCCCCC)Cl
Computed Properties
- Exact Mass: 230.0629059g/mol
- Monoisotopic Mass: 230.0629059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 0?2
Benzene, 1,3-dichloro-5-hexyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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