Cas no 57248-22-3 (Methanone, (4-bromophenyl)(2,5-dibromo-3-thienyl)-)
57248-22-3 structure
Product Name:Methanone, (4-bromophenyl)(2,5-dibromo-3-thienyl)-
CAS No:57248-22-3
MF:C11H5Br3OS
MW:424.933799505234
CID:346015
PubChem ID:43344986
Update Time:2025-04-19
Methanone, (4-bromophenyl)(2,5-dibromo-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-bromophenyl)(2,5-dibromo-3-thienyl)-
- (4-bromophenyl)-(2,5-dibromothiophen-3-yl)methanone
- (4-Bromophenyl)(2,5-dibromothiophen-3-yl)methanone
- SCHEMBL11844822
- 57248-22-3
- DTXSID00655892
-
- Inchi： 1S/C11H5Br3OS/c12-7-3-1-6(2-4-7)10(15)8-5-9(13)16-11(8)14/h1-5H
- InChI Key： ACBVIJOILOMSNK-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(S1)Br)C(C1C=CC(=CC=1)Br)=O
Computed Properties
- Exact Mass: 421.76105
- Monoisotopic Mass: 421.761
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- 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
- Topological Polar Surface Area: 45.3A^2
- XLogP3: 5.7
Experimental Properties
- PSA: 17.07
Methanone, (4-bromophenyl)(2,5-dibromo-3-thienyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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