Cas no 82586-61-6 (Benzenebutanoic acid, a-bromo-, ethyl ester)
82586-61-6 structure
Product Name:Benzenebutanoic acid, a-bromo-, ethyl ester
CAS No:82586-61-6
MF:C12H15BrO2
MW:271.150303125381
CID:730161
PubChem ID:11747666
Update Time:2025-04-19
Benzenebutanoic acid, a-bromo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, a-bromo-, ethyl ester
- ethyl 2-bromo-4-phenylbutanoate
- ethyl alpha-bromo-4-phenylbutanoate
- DTXSID20868664
- ZLZXSWNRZFMSSS-UHFFFAOYSA-N
- SCHEMBL305973
- 2-bromo-4-phenyl-butyric acid ethyl ester
- ethyl 2-bromo-4-phenylbutyrate
- FT-0743498
- Benzenebutanoic acid, alpha-bromo-, ethyl ester
- 82586-61-6
-
- Inchi： 1S/C12H15BrO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
- InChI Key： ZLZXSWNRZFMSSS-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OCC)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 145.052764
- Monoisotopic Mass: 145.052764
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 44
Benzenebutanoic acid, a-bromo-, ethyl ester Related Literature
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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
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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