Cas no 57248-21-2 (Methanone, (2-bromophenyl)(2,5-dibromo-3-thienyl)-)
57248-21-2 structure
Product Name:Methanone, (2-bromophenyl)(2,5-dibromo-3-thienyl)-
CAS No:57248-21-2
MF:C11H5Br3OS
MW:424.933799505234
CID:346016
PubChem ID:43344987
Update Time:2025-04-19
Methanone, (2-bromophenyl)(2,5-dibromo-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-bromophenyl)(2,5-dibromo-3-thienyl)-
- (2-bromophenyl)-(2,5-dibromothiophen-3-yl)methanone
- 57248-21-2
- SCHEMBL11835943
- DTXSID60655893
- (2-Bromophenyl)(2,5-dibromothiophen-3-yl)methanone
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- Inchi： 1S/C11H5Br3OS/c12-8-4-2-1-3-6(8)10(15)7-5-9(13)16-11(7)14/h1-5H
- InChI Key： FSVSUIYTLLZHDI-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(C1=C(SC(=C1)Br)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: 274
- 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, (2-bromophenyl)(2,5-dibromo-3-thienyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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