Cas no 704-11-0 (Benzenamine, 5-chloro-2-fluoro-4-nitro-)
704-11-0 structure
Product Name:Benzenamine, 5-chloro-2-fluoro-4-nitro-
CAS No:704-11-0
MF:C6H4ClFN2O2
MW:190.55956363678
CID:580441
PubChem ID:223088
Update Time:2025-04-19
Benzenamine, 5-chloro-2-fluoro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 5-chloro-2-fluoro-4-nitro-
- 5-chloro-2-fluoro-4-nitroaniline
- 5-Chlor-2-fluor-4-nitro-anilin
- 5-chloro-2-fluoro-4-nitro-aniline
- AC1L5CAL
- AC1Q5APP
- AG-K-72564
- AR-1G7725
- CTK2I0876
- NSC10274
- 704-11-0
- AKOS025295902
- NSC-10274
- SCHEMBL25394208
- DTXSID50278838
-
- Inchi： 1S/C6H4ClFN2O2/c7-3-1-5(9)4(8)2-6(3)10(11)12/h1-2H,9H2
- InChI Key： CKDVOPJPNALABG-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1[N+](=O)[O-])F)N
Computed Properties
- Exact Mass: 189.99462
- Monoisotopic Mass: 189.9945332g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 187
- 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: 1.6
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 69.16
- LogP: 3.07390
Benzenamine, 5-chloro-2-fluoro-4-nitro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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