Cas no 841251-38-5 (1-Octanone, 1-[4-(2-chloroethyl)phenyl]-)
![1-Octanone, 1-[4-(2-chloroethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/841500/841251-38-5x500.png)
841251-38-5 structure
Product Name:1-Octanone, 1-[4-(2-chloroethyl)phenyl]-
CAS No:841251-38-5
MF:C16H23ClO
MW:266.806224107742
CID:583334
PubChem ID:71407143
Update Time:2025-04-19
1-Octanone, 1-[4-(2-chloroethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanone, 1-[4-(2-chloroethyl)phenyl]-
- 1-[4-(2-chloroethyl)phenyl]octan-1-one
- DTXSID40827733
- 841251-38-5
-
- Inchi： 1S/C16H23ClO/c1-2-3-4-5-6-7-16(18)15-10-8-14(9-11-15)12-13-17/h8-11H,2-7,12-13H2,1H3
- InChI Key： DMNJPJOPEKGAQT-UHFFFAOYSA-N
- SMILES： ClCCC1C=CC(=CC=1)C(CCCCCCC)=O
Computed Properties
- Exact Mass: 266.1437430g/mol
- Monoisotopic Mass: 266.1437430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 219
- 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: 5.5
- Topological Polar Surface Area: 17.1?2
1-Octanone, 1-[4-(2-chloroethyl)phenyl]- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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