Cas no 86711-85-5 (Butanoic acid, 2-bromo-, nonyl ester)
86711-85-5 structure
Product Name:Butanoic acid, 2-bromo-, nonyl ester
CAS No:86711-85-5
MF:C13H25BrO2
MW:293.24040389061
CID:660833
PubChem ID:527517
Update Time:2025-04-19
Butanoic acid, 2-bromo-, nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-bromo-, nonyl ester
- nonyl 2-bromobutanoate
- SCHEMBL21811605
- 86711-85-5
- DTXSID60335825
- QLHKAJYBOHBZQL-UHFFFAOYSA-N
-
- Inchi： 1S/C13H25BrO2/c1-3-5-6-7-8-9-10-11-16-13(15)12(14)4-2/h12H,3-11H2,1-2H3
- InChI Key： QLHKAJYBOHBZQL-UHFFFAOYSA-N
- SMILES： BrC(CC)C(=O)OCCCCCCCCC
Computed Properties
- Exact Mass: 292.10379g/mol
- Monoisotopic Mass: 292.10379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 171
- 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: 5.8
- Topological Polar Surface Area: 26.3?2
Butanoic acid, 2-bromo-, nonyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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