Cas no 89469-94-3 (3-Bromo-2-ketoglutarate)
3-Bromo-2-ketoglutarate structure
Product Name:3-Bromo-2-ketoglutarate
CAS No:89469-94-3
MF:C5H5BrO5
MW:224.994201421738
CID:724043
PubChem ID:195934
Update Time:2025-04-19
3-Bromo-2-ketoglutarate Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-2-ketoglutarate
- SCHEMBL2888895
- 76444-16-1
- Pentanedioic acid, 3-bromo-2-oxo-, (+-)-
- DTXSID30997833
- bromoketoglutaric acid
- 89469-94-3
- QFGLEMGINFKMPT-UHFFFAOYSA-N
- 3-bromo-2-oxoglutaric acid
- Bromoketoglutarate
- 3-bromo-2-oxopentanedioic acid
-
- Inchi： 1S/C5H5BrO5/c6-2(1-3(7)8)4(9)5(10)11/h2H,1H2,(H,7,8)(H,10,11)
- InChI Key： QFGLEMGINFKMPT-UHFFFAOYSA-N
- SMILES： BrC(C(C(=O)O)=O)CC(=O)O
Computed Properties
- Exact Mass: 223.93204g/mol
- Monoisotopic Mass: 223.93204g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 91.7?2
3-Bromo-2-ketoglutarate Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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