Cas no 102096-98-0 (3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo-)
![3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo- structure](https://ossimg.kuujia.com/scimg/102500/102096-98-0x500.png)
102096-98-0 structure
Product Name:3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo-
CAS No:102096-98-0
MF:C26H43BrO10
MW:595.517628908157
CID:1135087
PubChem ID:14222547
Update Time:2025-04-20
3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo-
- 36-bromo-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene
- 12-Bromo-3,6,9,12,15,18,21,24,27,30-decaoxa-1(1,3)-benzenacyclohentriacontaphane
- 102096-98-0
- DTXSID70557596
-
- Inchi： 1S/C26H43BrO10/c27-26-24-2-1-3-25(26)23-37-21-19-35-17-15-33-13-11-31-9-7-29-5-4-28-6-8-30-10-12-32-14-16-34-18-20-36-22-24/h1-3H,4-23H2
- InChI Key： PVIHNMIRAYVQPU-UHFFFAOYSA-N
- SMILES： BrC1C2=CC=CC=1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2
Computed Properties
- Exact Mass: 594.20396g/mol
- Monoisotopic Mass: 594.20396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 37
- Rotatable Bond Count: 0
- Complexity: 450
- 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
- Molecular Weight: 595.5g/mol
- XLogP3: 0.5
- Topological Polar Surface Area: 92.3?2
3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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