Cas no 79023-48-6 (Octane, 2-bromo-4-(2-bromoethyl)-)
79023-48-6 structure
Product Name:Octane, 2-bromo-4-(2-bromoethyl)-
CAS No:79023-48-6
MF:C10H20Br2
MW:300.073801994324
CID:533516
PubChem ID:12680839
Update Time:2025-04-19
Octane, 2-bromo-4-(2-bromoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 2-bromo-4-(2-bromoethyl)-
- 2-bromo-4-(2-bromoethyl)octane
- DTXSID80506717
- 79023-48-6
- SCHEMBL1974857
-
- Inchi： 1S/C10H20Br2/c1-3-4-5-10(6-7-11)8-9(2)12/h9-10H,3-8H2,1-2H3
- InChI Key： FPJZMNOZWDTAST-UHFFFAOYSA-N
- SMILES： BrC(C)CC(CCBr)CCCC
Computed Properties
- Exact Mass: 299.99113g/mol
- Monoisotopic Mass: 297.99318g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 93.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 0?2
Octane, 2-bromo-4-(2-bromoethyl)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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