Cas no 75487-14-8 (Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester)
75487-14-8 structure
Product Name:Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester
CAS No:75487-14-8
MF:C8H12Br2O3
MW:315.98708152771
CID:539466
PubChem ID:71403766
Update Time:2025-04-19
Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester
- ethyl 3,5-dibromo-4-oxohexanoate
- 75487-14-8
- DTXSID90824656
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- Inchi: 1S/C8H12Br2O3/c1-3-13-7(11)4-6(10)8(12)5(2)9/h5-6H,3-4H2,1-2H3
- InChI Key: BFXPFGKKSZYSMR-UHFFFAOYSA-N
- SMILES: BrC(C(C(C)Br)=O)CC(=O)OCC
Computed Properties
- Exact Mass: 315.91327g/mol
- Monoisotopic Mass: 313.91532g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 43.4?2
Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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