Cas no 63988-10-3 (1-Chloro-2-octanone)
1-Chloro-2-octanone structure
Product Name:1-Chloro-2-octanone
CAS No:63988-10-3
MF:C8H15ClO
MW:162.657101869583
CID:425187
PubChem ID:11506510
Update Time:2025-04-19
1-Chloro-2-octanone Chemical and Physical Properties
Names and Identifiers
-
- 1-Chloro-2-octanone
- 1-chlorooctan-2-one
- 2-Octanone, 1-chloro-
- (E)-1-chlorooctan-2-one
- 1-Chlor-octan-2-on
- 1-chloro-octan-2-one
- AG-G-39146
- AGN-PC-00AHK4
- Chlormethyl-hexyl-keton
- CTK2A7620
- KB-152558
- AKOS006384438
- DTXSID40467698
- Chlorcton
- JKXHWCLBNHPIMW-UHFFFAOYSA-N
- SCHEMBL6647427
- 63988-10-3
-
- Inchi： 1S/C8H15ClO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3
- InChI Key： JKXHWCLBNHPIMW-UHFFFAOYSA-N
- SMILES： ClCC(CCCCCC)=O
Computed Properties
- Exact Mass: 162.08125
- Monoisotopic Mass: 162.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 91.3
- 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: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Chloro-2-octanone Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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