Cas no 86674-51-3 (1-NITROSOPYRENE)
1-NITROSOPYRENE structure
Product Name:1-NITROSOPYRENE
CAS No:86674-51-3
MF:C16H9NO
MW:231.248763799667
CID:731696
PubChem ID:104777
Update Time:2025-04-19
1-NITROSOPYRENE Chemical and Physical Properties
Names and Identifiers
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- 1-NITROSOPYRENE
- 1-Nitrosopyrene
- 1-NITROSOPYRENE
-
- Inchi： 1S/C16H9NO/c18-17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
- InChI Key： KRCPDXFCTQIOPS-UHFFFAOYSA-N
- SMILES： O=NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 231.068
- Monoisotopic Mass: 231.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 342
- 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: 4.4
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- Density: 1.0053 (rough estimate)
- Boiling Point: 384.1°C (rough estimate)
- Flash Point: 179.3°C
- Refractive Index: 1.5500 (estimate)
1-NITROSOPYRENE Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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