Cas no 923025-56-3 (3-Buten-2-one, 1-bromo-4-(2-thienyl)-, (3E)-)
923025-56-3 structure
Product Name:3-Buten-2-one, 1-bromo-4-(2-thienyl)-, (3E)-
CAS No:923025-56-3
MF:C8H7BrOS
MW:231.109580278397
CID:738648
PubChem ID:71446002
Update Time:2025-04-19
3-Buten-2-one, 1-bromo-4-(2-thienyl)-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1-bromo-4-(2-thienyl)-, (3E)-
- 1-bromo-4-thiophen-2-ylbut-3-en-2-one
- 923025-56-3
- 1-Bromo-4-(thiophen-2-yl)but-3-en-2-one
- DTXSID50854510
-
- Inchi： 1S/C8H7BrOS/c9-6-7(10)3-4-8-2-1-5-11-8/h1-5H,6H2
- InChI Key： CPZKSDWEONFCLN-UHFFFAOYSA-N
- SMILES： BrCC(C=CC1=CC=CS1)=O
Computed Properties
- Exact Mass: 229.94010g/mol
- Monoisotopic Mass: 229.94010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 168
- 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: 2.6
- Topological Polar Surface Area: 45.3?2
3-Buten-2-one, 1-bromo-4-(2-thienyl)-, (3E)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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