Cas no 81316-87-2 (5-nitrobenzo[ghi]perylene)
![5-nitrobenzo[ghi]perylene structure](https://ossimg.kuujia.com/scimg/81500/81316-87-2x500.png)
5-nitrobenzo[ghi]perylene structure
Product Name:5-nitrobenzo[ghi]perylene
CAS No:81316-87-2
MF:C22H11NO2
MW:321.328245401382
CID:1805240
PubChem ID:54733
Update Time:2025-04-21
5-nitrobenzo[ghi]perylene Chemical and Physical Properties
Names and Identifiers
-
- 5-nitrobenzo[ghi]perylene
- 5-NITROBENZO(GHI)PERYLENE
- DTXSID60231050
- BENZO(ghi)PERYLENE, 5-NITRO-
- 81316-87-2
-
- Inchi： 1S/C22H11NO2/c24-23(25)18-11-10-16-15-3-1-2-12-4-5-13-6-7-14-8-9-17(18)22(16)21(14)20(13)19(12)15/h1-11H
- InChI Key： PEVCOODQXOIYQH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C2C3C=CC=C4C=CC5C=CC6=CC=C1C2=C6C=5C=34)=O
Computed Properties
- Exact Mass: 321.078978594g/mol
- Monoisotopic Mass: 321.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 571
- 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: 6.9
- Topological Polar Surface Area: 45.8?2
5-nitrobenzo[ghi]perylene Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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