Cas no 646041-14-7 (Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]-)
![Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]- structure](https://ossimg.kuujia.com/scimg/646500/646041-14-7x500.png)
646041-14-7 structure
Product Name:Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]-
CAS No:646041-14-7
MF:C9H11ClO
MW:170.636041879654
CID:422143
PubChem ID:71379547
Update Time:2025-04-19
Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]-
- 1-chloro-4-[(1S)-1-methoxyethyl]benzene
- DTXSID40802106
- 646041-14-7
- SCHEMBL17771762
-
- Inchi： 1S/C9H11ClO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3/t7-/m0/s1
- InChI Key： YLCHCCZZZCBZOS-ZETCQYMHSA-N
- SMILES： ClC1C=CC(=CC=1)[C@H](C)OC
Computed Properties
- Exact Mass: 170.04993
- Monoisotopic Mass: 170.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-chloro-4-[(1S)-1-methoxyethyl]- Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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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
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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