Cas no 16611-20-4 (Benzenamine,4-chloro-N-(3-fluorophenyl)-2-nitro-)
16611-20-4 structure
Product Name:Benzenamine,4-chloro-N-(3-fluorophenyl)-2-nitro-
CAS No:16611-20-4
MF:C12H8ClFN2O2
MW:266.65552520752
CID:200386
PubChem ID:261396
Update Time:2025-04-19
Benzenamine,4-chloro-N-(3-fluorophenyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-chloro-N-(3-fluorophenyl)-2-nitro-
- 16611-20-4
- 4-chloro-n-(3-fluorophenyl)-2-nitroaniline
- NSC-93395
- DTXSID40937169
- NSC93395
- NCIOpen2_005905
-
- Inchi： 1S/C12H8ClFN2O2/c13-8-4-5-11(12(6-8)16(17)18)15-10-3-1-2-9(14)7-10/h1-7,15H
- InChI Key： BTRHAEXRNXUURB-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C=1)[N+](=O)[O-])NC1C=CC=C(C=1)F
Computed Properties
- Exact Mass: 266.02594
- Monoisotopic Mass: 266.025833
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 300
- 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
- Topological Polar Surface Area: 57.8
- XLogP3: 4.6
Experimental Properties
- Density: 1.453
- Boiling Point: 354.8°C at 760 mmHg
- Flash Point: 168.4°C
- Refractive Index: 1.651
- PSA: 55.17
- LogP: 4.72710
Benzenamine,4-chloro-N-(3-fluorophenyl)-2-nitro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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