Cas no 88260-33-7 (Octanoic acid, 3,8-dibromo-2-oxo-)
88260-33-7 structure
Product Name:Octanoic acid, 3,8-dibromo-2-oxo-
CAS No:88260-33-7
MF:C8H12Br2O3
MW:315.98708152771
CID:639459
PubChem ID:71409618
Update Time:2025-04-19
Octanoic acid, 3,8-dibromo-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 3,8-dibromo-2-oxo-
- 3,8-dibromo-2-oxooctanoic acid
- 88260-33-7
- DTXSID80829357
-
- Inchi： 1S/C8H12Br2O3/c9-5-3-1-2-4-6(10)7(11)8(12)13/h6H,1-5H2,(H,12,13)
- InChI Key： CFVNRAPYSDOWMF-UHFFFAOYSA-N
- SMILES： BrC(C(C(=O)O)=O)CCCCCBr
Computed Properties
- Exact Mass: 315.91327g/mol
- Monoisotopic Mass: 313.91532g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 182
- 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: 2.7
- Topological Polar Surface Area: 54.4?2
Octanoic acid, 3,8-dibromo-2-oxo- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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