Cas no 54615-31-5 (1,3,5-Cycloheptatriene, 7-(4-bromophenyl)-)
54615-31-5 structure
Product Name:1,3,5-Cycloheptatriene, 7-(4-bromophenyl)-
CAS No:54615-31-5
MF:C13H11Br
MW:247.130442857742
CID:354099
PubChem ID:12317374
Update Time:2025-04-19
1,3,5-Cycloheptatriene, 7-(4-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Cycloheptatriene, 7-(4-bromophenyl)-
- 7-(4-bromophenyl)cyclohepta-1,3,5-triene
- 54615-31-5
- DTXSID00487877
- SCHEMBL18931529
-
- Inchi： 1S/C13H11Br/c14-13-9-7-12(8-10-13)11-5-3-1-2-4-6-11/h1-11H
- InChI Key： BPQHKDPQZCVPFN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1C=CC=CC=C1
Computed Properties
- Exact Mass: 246.00443
- Monoisotopic Mass: 246.00441g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 238
- 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: 4.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3,5-Cycloheptatriene, 7-(4-bromophenyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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