Cas no 110017-07-7 (ethyl 4-(bromomethyl)-2-ethoxybenzoate)
110017-07-7 structure
Product Name:ethyl 4-(bromomethyl)-2-ethoxybenzoate
CAS No:110017-07-7
MF:C12H15BrO3
MW:287.149703264236
CID:1189105
PubChem ID:10589339
Update Time:2025-04-20
ethyl 4-(bromomethyl)-2-ethoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-(bromomethyl)-2-ethoxybenzoate
- benzoic acid, 4-(bromomethyl)-2-ethoxy-, ethyl ester
- ethyl 4-bromomethyl-2-ethoxy-benzoate
- 110017-07-7
- DTXSID501218867
- DB-370399
- 4-(bromomethyl)-2-ethoxybenzoic acid ethyl ester
- SCHEMBL1515826
- JLPBJYKWFFSDEI-UHFFFAOYSA-N
-
- Inchi： 1S/C12H15BrO3/c1-3-15-11-7-9(8-13)5-6-10(11)12(14)16-4-2/h5-7H,3-4,8H2,1-2H3
- InChI Key： JLPBJYKWFFSDEI-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OCC)=C(C=1)OCC
Computed Properties
- Exact Mass: 286.02045
- Monoisotopic Mass: 286.02046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 220
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
ethyl 4-(bromomethyl)-2-ethoxybenzoate Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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