Cas no 578006-79-8 (2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI))
![2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) structure](https://ossimg.kuujia.com/scimg/578500/578006-79-8x500.png)
578006-79-8 structure
Product Name:2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI)
CAS No:578006-79-8
MF:C6H6N2
MW:106.125240802765
CID:1018514
PubChem ID:45079536
Update Time:2025-04-20
2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI)
- 2,7-diazabicyclo[4.2.0]octa-1(6),2,4-triene
- 578006-79-8
- DTXSID00663730
- 2,7-DIAZABICYCLO[4.2.0]OCTA-1,3,5-TRIENE
- 83352-79-8
- SCHEMBL2044013
-
- Inchi： 1S/C6H6N2/c1-2-5-6(4-8-5)7-3-1/h1-3,8H,4H2
- InChI Key： WWXKFIWJMQVUTI-UHFFFAOYSA-N
- SMILES： N1C2C=CC=NC=2C1
Computed Properties
- Exact Mass: 106.053098200g/mol
- Monoisotopic Mass: 106.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 92.5
- 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: -0.2
- Topological Polar Surface Area: 24.9?2
2,7-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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