Cas no 32622-57-4 (6-fluoro-12-nitrochrysene)
6-fluoro-12-nitrochrysene structure
Product Name:6-fluoro-12-nitrochrysene
CAS No:32622-57-4
MF:C18H10FNO2
MW:291.275907993317
CID:917117
PubChem ID:285012
Update Time:2025-04-19
6-fluoro-12-nitrochrysene Chemical and Physical Properties
Names and Identifiers
-
- 6-fluoro-12-nitrochrysene
- 6-Fluor-12-nitrochrysen
- AC1L625F
- AC1Q20IB
- AG-J-90069
- AR-1H1673
- CTK4G9028
- NSC141571
- DTXSID40301169
- NSC-141571
- 32622-57-4
- DS-009053
- 6-fluoro-12-nitro-chrysene
-
- Inchi： 1S/C18H10FNO2/c19-17-9-15-12-6-2-4-8-14(12)18(20(21)22)10-16(15)11-5-1-3-7-13(11)17/h1-10H
- InChI Key： TVMLWEGMYCYAEQ-UHFFFAOYSA-N
- SMILES： FC1=CC2=C3C=CC=CC3=C(C=C2C2C=CC=CC=21)[N+](=O)[O-]
Computed Properties
- Exact Mass: 291.0696
- Monoisotopic Mass: 291.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 437
- 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: 5.6
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
- LogP: 5.71670
6-fluoro-12-nitrochrysene Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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