Cas no 57218-05-0 (Benzene, 1-(2-chloroethoxy)-3,5-dimethoxy-)
57218-05-0 structure
Product Name:Benzene, 1-(2-chloroethoxy)-3,5-dimethoxy-
CAS No:57218-05-0
MF:C10H13ClO3
MW:216.661422491074
CID:346118
PubChem ID:12298886
Update Time:2025-04-19
Benzene, 1-(2-chloroethoxy)-3,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(2-chloroethoxy)-3,5-dimethoxy-
- 1-(2-chloroethoxy)-3,5-dimethoxybenzene
- SCHEMBL9041156
- DTXSID20486089
- 57218-05-0
-
- Inchi： 1S/C10H13ClO3/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11/h5-7H,3-4H2,1-2H3
- InChI Key： LVVKCFGTIIHIHY-UHFFFAOYSA-N
- SMILES： ClCCOC1C=C(C=C(C=1)OC)OC
Computed Properties
- Exact Mass: 216.05539
- Monoisotopic Mass: 216.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 142
- 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: 2.4
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
Benzene, 1-(2-chloroethoxy)-3,5-dimethoxy- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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