Cas no 69169-56-8 (2-Butenoic acid, 3-bromo-, (2E)-)
69169-56-8 structure
Product Name:2-Butenoic acid, 3-bromo-, (2E)-
CAS No:69169-56-8
MF:C4H5BrO2
MW:164.985300779343
CID:1733715
PubChem ID:12471976
Update Time:2025-04-21
2-Butenoic acid, 3-bromo-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-bromo-, (2E)-
- (E)-3-bromobut-2-enoic acid
- SCHEMBL6576455
- G80883
- (E)-3-Bromo-2-butenoic Acid
- 69169-56-8
-
- Inchi： 1S/C4H5BrO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+
- InChI Key： JFQJADVATLPJRF-NSCUHMNNSA-N
- SMILES： Br/C(=C/C(=O)O)/C
Computed Properties
- Exact Mass: 163.94729g/mol
- Monoisotopic Mass: 163.94729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 106
- 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: 1.1
- Topological Polar Surface Area: 37.3?2
2-Butenoic acid, 3-bromo-, (2E)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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