Cas no 81316-78-1 (1-nitrotriphenylene)
1-nitrotriphenylene structure
Product Name:1-nitrotriphenylene
CAS No:81316-78-1
MF:C18H11NO2
MW:273.285444498062
CID:1803640
PubChem ID:157366
Update Time:2025-04-21
1-nitrotriphenylene Chemical and Physical Properties
Names and Identifiers
-
- 1-nitrotriphenylene
- triphenylene, 1-nitro-
- DS-016181
- CHEMBL167721
- DTXSID70231046
- 81316-78-1
- SCHEMBL1684003
- 1-Nitro-triphenylene
-
- MDL： MFCD01617921
- Inchi： 1S/C18H11NO2/c20-19(21)17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H
- InChI Key： HCZVRRQDPKTLAK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=C2C3C=CC=CC=3C3C=CC=CC=3C2=1)=O
Computed Properties
- Exact Mass: 273.078978594g/mol
- Monoisotopic Mass: 273.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 405
- 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: 4.7
- Topological Polar Surface Area: 45.8?2
1-nitrotriphenylene Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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