Cas no 84567-97-5 (Undecane, 1-bromo-3-methyl-, (S)-)
84567-97-5 structure
Product Name:Undecane, 1-bromo-3-methyl-, (S)-
CAS No:84567-97-5
MF:C12H25Br
MW:249.23090338707
CID:2844879
PubChem ID:11230418
Update Time:2025-04-21
Undecane, 1-bromo-3-methyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Undecane, 1-bromo-3-methyl-, (S)-
- 84567-97-5
- DTXCID30410315
- DTXSID80459496
-
- Inchi： 1S/C12H25Br/c1-3-4-5-6-7-8-9-12(2)10-11-13/h12H,3-11H2,1-2H3/t12-/m0/s1
- InChI Key： MQXSAFCRTCCMSS-LBPRGKRZSA-N
- SMILES： BrCC[C@@H](C)CCCCCCCC
Computed Properties
- Exact Mass: 248.11396Da
- Monoisotopic Mass: 248.11396Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 91.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 0?2
Undecane, 1-bromo-3-methyl-, (S)- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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