Cas no 3540-49-6 (Butanoic acid, 4-bromo-, 2-ethoxyethyl ester)
3540-49-6 structure
Product Name:Butanoic acid, 4-bromo-, 2-ethoxyethyl ester
CAS No:3540-49-6
MF:C8H15BrO3
MW:239.106902360916
CID:292560
PubChem ID:71360905
Update Time:2025-04-19
Butanoic acid, 4-bromo-, 2-ethoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-bromo-, 2-ethoxyethyl ester
- 2-ethoxyethyl 4-bromobutanoate
- 3540-49-6
- DTXSID70784668
-
- Inchi: 1S/C8H15BrO3/c1-2-11-6-7-12-8(10)4-3-5-9/h2-7H2,1H3
- InChI Key: XUBYOOALCDJYRC-UHFFFAOYSA-N
- SMILES: BrCCCC(=O)OCCOCC
Computed Properties
- Exact Mass: 238.02045
- Monoisotopic Mass: 238.02046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 117
- 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: 1.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Butanoic acid, 4-bromo-, 2-ethoxyethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
3540-49-6 (Butanoic acid, 4-bromo-, 2-ethoxyethyl ester) Related Products
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