Cas no 55651-37-1 (Methyl 3-bromobut-2-enoate)
Methyl 3-bromobut-2-enoate structure
Product Name:Methyl 3-bromobut-2-enoate
CAS No:55651-37-1
MF:C5H7BrO2
MW:179.011881113052
CID:2831786
PubChem ID:53967748
Update Time:2025-04-21
Methyl 3-bromobut-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- JPLHFWSHCZVVDR-UHFFFAOYSA-N
- 3-bromo-2-butenoic acid methyl ester
- Methyl 3-bromobut-2-enoate
- DTXSID20708036
- 55651-37-1
-
- Inchi： 1S/C5H7BrO2/c1-4(6)3-5(7)8-2/h3H,1-2H3
- InChI Key： JPLHFWSHCZVVDR-UHFFFAOYSA-N
- SMILES： BrC(C)=CC(=O)OC
Computed Properties
- Exact Mass: 177.96294g/mol
- Monoisotopic Mass: 177.96294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.4
- Topological Polar Surface Area: 26.3?2
Methyl 3-bromobut-2-enoate Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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