Cas no 125163-13-5 (Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI))
125163-13-5 structure
Product Name:Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI)
CAS No:125163-13-5
MF:C8H9FN2O3
MW:200.167065382004
CID:1022715
PubChem ID:4095984
Update Time:2025-04-20
Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI)
- 5-ethoxy-4-fluoro-2-nitroaniline
- IXBTZWMWZZYTIT-UHFFFAOYSA-N
- SCHEMBL1538970
- BENZENAMINE, 5-ETHOXY-4-FLUORO-2-NITRO-
- 125163-13-5
- AKOS024324301
- DTXSID60399265
- DB-285153
-
- Inchi： 1S/C8H9FN2O3/c1-2-14-8-4-6(10)7(11(12)13)3-5(8)9/h3-4H,2,10H2,1H3
- InChI Key： IXBTZWMWZZYTIT-UHFFFAOYSA-N
- SMILES： FC1=CC(=C(C=C1OCC)N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 200.05977
- Monoisotopic Mass: 200.05972032g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 2.1
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- PSA: 78.39
Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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