Cas no 54899-96-6 (2-Heptanone, 1,3,3-tribromo-)
2-Heptanone, 1,3,3-tribromo- structure
Product Name:2-Heptanone, 1,3,3-tribromo-
CAS No:54899-96-6
MF:C7H11Br3O
MW:350.873640298843
CID:353344
PubChem ID:21774997
Update Time:2025-04-19
2-Heptanone, 1,3,3-tribromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 1,3,3-tribromo-
- 1,3,3-tribromoheptan-2-one
- DTXSID40617914
- 54899-96-6
- 1,3,3-tribromo-2-heptanone
-
- Inchi： 1S/C7H11Br3O/c1-2-3-4-7(9,10)6(11)5-8/h2-5H2,1H3
- InChI Key： OVWMQEIGPZGSQD-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)(CCCC)Br
Computed Properties
- Exact Mass: 347.83593
- Monoisotopic Mass: 347.83600g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 134
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Heptanone, 1,3,3-tribromo- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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