Cas no 57248-40-5 (3-Thiophenecarbonyl chloride, 2,5-dibromo-)
57248-40-5 structure
Product Name:3-Thiophenecarbonyl chloride, 2,5-dibromo-
CAS No:57248-40-5
MF:C5HBr2ClOS
MW:304.386837720871
CID:345997
PubChem ID:13418989
Update Time:2025-04-19
3-Thiophenecarbonyl chloride, 2,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarbonyl chloride, 2,5-dibromo-
- 2,5-dibromothiophene-3-carbonyl chloride
- DTXSID10540220
- 57248-40-5
-
- Inchi： 1S/C5HBr2ClOS/c6-3-1-2(5(8)9)4(7)10-3/h1H
- InChI Key： TZKYICXIRLLMKF-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)Cl)C=C(S1)Br
Computed Properties
- Exact Mass: 301.78033
- Monoisotopic Mass: 301.78034g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 155
- 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: 4.2
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
3-Thiophenecarbonyl chloride, 2,5-dibromo- Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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