Cas no 88598-58-7 (6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene)
![6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene structure](https://ossimg.kuujia.com/scimg/89000/88598-58-7x500.png)
88598-58-7 structure
Product Name:6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene
CAS No:88598-58-7
MF:C20H15NO2
MW:301.338605165482
CID:1926510
PubChem ID:150758
Update Time:2025-04-21
6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene Chemical and Physical Properties
Names and Identifiers
-
- 6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene
- benzo[a]pyrene, 7,8,9,10-tetrahydro-6-nitro-
- 6-Nitro-7,8,9,10-tetrahydrobenzo(A)pyrene
- DTXSID70237169
- 88598-58-7
- 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene
- CCRIS 5865
- CHEMBL167917
-
- Inchi： 1S/C20H15NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h3-5,8-11H,1-2,6-7H2
- InChI Key： PEWFNAORWLNPHN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C2C=CC3=CC=CC4C=CC(=C2C=43)C2CCCCC=21)=O
Computed Properties
- Exact Mass: 301.110278721Da
- Monoisotopic Mass: 301.110278721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 487
- 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: 6.2
- Topological Polar Surface Area: 45.8?2
6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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