Cas no 56020-83-8 (3-Buten-2-one, 1,1,3,4-tetrabromo-, (Z)-)
56020-83-8 structure
Product Name:3-Buten-2-one, 1,1,3,4-tetrabromo-, (Z)-
CAS No:56020-83-8
MF:C4H2Br4O
MW:385.674078464508
CID:350050
PubChem ID:71444897
Update Time:2025-04-19
3-Buten-2-one, 1,1,3,4-tetrabromo-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1,1,3,4-tetrabromo-, (Z)-
- 1,1,3,4-tetrabromobut-3-en-2-one
- 56020-83-8
- DTXSID10853645
-
- Inchi： 1S/C4H2Br4O/c5-1-2(6)3(9)4(7)8/h1,4H
- InChI Key： QDMHHSIUMQQFCZ-UHFFFAOYSA-N
- SMILES： BrC(C(C(=CBr)Br)=O)Br
Computed Properties
- Exact Mass: 381.68376
- Monoisotopic Mass: 381.68391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Buten-2-one, 1,1,3,4-tetrabromo-, (Z)- Related Literature
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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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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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