Cas no 79445-99-1 (Benzenamine,4-fluoro-N-(4-fluorophenyl)-2-nitro-)
79445-99-1 structure
Product Name:Benzenamine,4-fluoro-N-(4-fluorophenyl)-2-nitro-
CAS No:79445-99-1
MF:C12H8F2N2O2
MW:250.200929641724
CID:574201
PubChem ID:261380
Update Time:2025-04-19
Benzenamine,4-fluoro-N-(4-fluorophenyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-fluoro-N-(4-fluorophenyl)-2-nitro-
- 4-fluoro-N-(4-fluorophenyl)-2-nitroaniline
- AC1L656J
- AC1Q20KS
- AR-1G2342
- NCIOpen2_005981
- NSC93378
- NSC-93378
- 79445-99-1
- DTXSID40293994
-
- Inchi： 1S/C12H8F2N2O2/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)16(17)18/h1-7,15H
- InChI Key： HYADUIHNBXBZKJ-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C=1)[N+](=O)[O-])NC1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 250.05500
- Monoisotopic Mass: 250.05538383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 3.9
- Topological Polar Surface Area: 57.8?2
Experimental Properties
- PSA: 57.85000
- LogP: 4.21280
Benzenamine,4-fluoro-N-(4-fluorophenyl)-2-nitro- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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