Cas no 57248-42-7 (Methanone, (2,5-dibromo-3-thienyl)(3,4-dichlorophenyl)-)
57248-42-7 structure
Product Name:Methanone, (2,5-dibromo-3-thienyl)(3,4-dichlorophenyl)-
CAS No:57248-42-7
MF:C11H4Br2Cl2OS
MW:414.927858352661
CID:345995
PubChem ID:43344977
Update Time:2025-04-19
Methanone, (2,5-dibromo-3-thienyl)(3,4-dichlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2,5-dibromo-3-thienyl)(3,4-dichlorophenyl)-
- (2,5-dibromothiophen-3-yl)-(3,4-dichlorophenyl)methanone
- (2,5-Dibromothiophen-3-yl)(3,4-dichlorophenyl)methanone
- AKOS005922856
- SCHEMBL11856796
- DTXSID80655890
- 57248-42-7
-
- Inchi： 1S/C11H4Br2Cl2OS/c12-9-4-6(11(13)17-9)10(16)5-1-2-7(14)8(15)3-5/h1-4H
- InChI Key： BYRJSSVTSYRWIJ-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(S1)Br)C(C1C=CC(=C(C=1)Cl)Cl)=O
Computed Properties
- Exact Mass: 411.77272
- Monoisotopic Mass: 411.773
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 305
- 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: 6.2
Experimental Properties
- PSA: 17.07
Methanone, (2,5-dibromo-3-thienyl)(3,4-dichlorophenyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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