Cas no 71171-92-1 (Benzo[a]pyrene,8-fluoro-)
Benzo[a]pyrene,8-fluoro- structure
Product Name:Benzo[a]pyrene,8-fluoro-
Benzo[a]pyrene,8-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,8-fluoro-
- 8-fluorobenzo(a)pyrene
- 8-fluorobenzo[a]pyrene
- 8-Fluorobenzo[pqr]tetraphene
- NSC-623137
- BRN 1980312
- NSC623137
- CHEMBL1991507
- DTXSID20221356
- BENZO(a)PYRENE, 8-FLUORO-
- 71171-92-1
- NCI60_006901
-
- Inchi: 1S/C20H11F/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11H
- InChI Key: NGTRARPAYZCLIC-UHFFFAOYSA-N
- SMILES: FC1C=CC2=C(C=1)C=C1C=CC3=CC=CC4=CC=C2C1=C43
Computed Properties
- Exact Mass: 270.08453
- Monoisotopic Mass: 270.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.4
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Density: 1.349
- Boiling Point: 470.4°C at 760 mmHg
- Flash Point: 203.5°C
- Refractive Index: 1.86
- PSA: 0
Benzo[a]pyrene,8-fluoro- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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