Cas no 61798-13-8 (Nonanoic acid, 8,9-dibromo-)
Nonanoic acid, 8,9-dibromo- structure
Product Name:Nonanoic acid, 8,9-dibromo-
CAS No:61798-13-8
MF:C9H16Br2O2
MW:316.030141830444
CID:465819
PubChem ID:71392015
Update Time:2025-04-19
Nonanoic acid, 8,9-dibromo- Chemical and Physical Properties
Names and Identifiers
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- Nonanoic acid, 8,9-dibromo-
- 8,9-dibromononanoic acid
- DTXSID80813837
- SCHEMBL23829947
- 61798-13-8
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- Inchi： 1S/C9H16Br2O2/c10-7-8(11)5-3-1-2-4-6-9(12)13/h8H,1-7H2,(H,12,13)
- InChI Key： XBODKVVUQYOMGU-UHFFFAOYSA-N
- SMILES： BrC(CBr)CCCCCCC(=O)O
Computed Properties
- Exact Mass: 313.95168
- Monoisotopic Mass: 313.95170g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 140
- 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: 3.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Nonanoic acid, 8,9-dibromo- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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