Cas no 821786-04-3 (Hexanoic acid, 2-bromo-, hexyl ester, (2R)-)
821786-04-3 structure
Product Name:Hexanoic acid, 2-bromo-, hexyl ester, (2R)-
CAS No:821786-04-3
MF:C12H23BrO2
MW:279.2138235569
CID:696777
PubChem ID:71419766
Update Time:2025-04-19
Hexanoic acid, 2-bromo-, hexyl ester, (2R)- Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 2-bromo-, hexyl ester, (2R)-
- hexyl (2R)-2-bromohexanoate
- DTXSID30838994
- 821786-04-3
-
- Inchi： 1S/C12H23BrO2/c1-3-5-7-8-10-15-12(14)11(13)9-6-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
- InChI Key： XUCICEORKGXNRU-LLVKDONJSA-N
- SMILES： Br[C@@H](C(=O)OCCCCCC)CCCC
Computed Properties
- Exact Mass: 278.08814g/mol
- Monoisotopic Mass: 278.08814g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 160
- 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: 5.1
- Topological Polar Surface Area: 26.3?2
Hexanoic acid, 2-bromo-, hexyl ester, (2R)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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