Cas no 796994-67-7 (1-Heptanone, 1-(5-bromo-2-thienyl)-)
796994-67-7 structure
Product Name:1-Heptanone, 1-(5-bromo-2-thienyl)-
CAS No:796994-67-7
MF:C11H15BrOS
MW:275.205201387405
CID:532345
PubChem ID:57675566
Update Time:2025-04-19
1-Heptanone, 1-(5-bromo-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptanone, 1-(5-bromo-2-thienyl)-
- 1-(5-bromothiophen-2-yl)heptan-1-one
- 796994-67-7
- 2-Heptanoyl-5-bromothiophene
- AKOS013631948
- SCHEMBL2009655
- KTMDNZQVQKNMMA-UHFFFAOYSA-N
- DTXSID00727482
-
- Inchi： 1S/C11H15BrOS/c1-2-3-4-5-6-9(13)10-7-8-11(12)14-10/h7-8H,2-6H2,1H3
- InChI Key： KTMDNZQVQKNMMA-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(CCCCCC)=O)S1
Computed Properties
- Exact Mass: 274.00270g/mol
- Monoisotopic Mass: 274.00270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 184
- 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: 5.1
- Topological Polar Surface Area: 45.3?2
1-Heptanone, 1-(5-bromo-2-thienyl)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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