Cas no 41386-38-3 (Ethyl 4-(2-bromoethoxy)benzoate)
41386-38-3 structure
Product Name:Ethyl 4-(2-bromoethoxy)benzoate
CAS No:41386-38-3
MF:C11H13BrO3
MW:273.123122930527
CID:1513074
PubChem ID:12708668
Update Time:2025-04-21
Ethyl 4-(2-bromoethoxy)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-(2-bromoethoxy)benzoate
- ethyl p-(2-bromoethoxy)-benzoate
- CTK1D3881
- SureCN1961069
- 4-(2-Bromo-ethoxy)-benzoic acid ethyl ester
- ethyl 4-(2-bromoethyloxy)benzoate
- Benzoic acid, 4-(2-bromoethoxy)-, ethyl ester
- SCHEMBL1961069
- BZLVOUTZDHRJPD-UHFFFAOYSA-N
- DTXSID30507577
- ethyl p-(2-bromoethoxy)benzoate
- AKOS014351489
- DB-366697
- 41386-38-3
-
- Inchi： 1S/C11H13BrO3/c1-2-14-11(13)9-3-5-10(6-4-9)15-8-7-12/h3-6H,2,7-8H2,1H3
- InChI Key： BZLVOUTZDHRJPD-UHFFFAOYSA-N
- SMILES： BrCCOC1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 272.00500
- Monoisotopic Mass: 272.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 188
- 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: 3.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 2.63700
Ethyl 4-(2-bromoethoxy)benzoate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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