Cas no 1313734-60-9 ([U-Ring-13C6]-4-Fluorobromobenzene)
![[U-Ring-13C6]-4-Fluorobromobenzene structure](https://ossimg.kuujia.com/scimg/1314000/1313734-60-9x500.png)
1313734-60-9 structure
Product Name:[U-Ring-13C6]-4-Fluorobromobenzene
CAS No:1313734-60-9
MF:C6H4BrF
MW:180.954293251038
CID:1074221
PubChem ID:71309889
Update Time:2025-04-20
[U-Ring-13C6]-4-Fluorobromobenzene Chemical and Physical Properties
Names and Identifiers
-
- [U-Ring-13C6]-4-Fluorobromobenzene
- 1-bromo-4-fluorobenzene
- 1-Bromo-4-fluoro(~13~C_6_)benzene
- 1313734-60-9
- 1-Bromo-4-fluorobenzene-13C6, 99 atom % 13C, 98% (CP)
- DTXSID90746001
-
- Inchi： 1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
- InChI Key： AITNMTXHTIIIBB-IDEBNGHGSA-N
- SMILES： Br[13C]1[13CH]=[13CH][13C](=[13CH][13CH]=1)F
Computed Properties
- Exact Mass: 179.96817g/mol
- Monoisotopic Mass: 179.96817g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 66.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 0?2
[U-Ring-13C6]-4-Fluorobromobenzene Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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