Cas no 403-92-9 (Carbamic acid, (3-fluorophenyl)-, ethyl ester (9CI))
403-92-9 structure
Product Name:Carbamic acid, (3-fluorophenyl)-, ethyl ester (9CI)
CAS No:403-92-9
MF:C9H10FNO2
MW:183.179605960846
CID:335162
PubChem ID:223116
Update Time:2025-04-19
Carbamic acid, (3-fluorophenyl)-, ethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (3-fluorophenyl)-, ethyl ester (9CI)
- m-fluorophenyl carbamate
- (3-fluoro-phenyl)-carbamic acid ethyl ester
- (3-Fluor-phenyl)-carbamidsaeure-aethylester
- 3-Fluor-phenyl&
- -carbamidsaeureaethylester
- N-&
- N-< 3-Fluor-phenyl> -carbamidsaeureaethylester
- Ethyl (m-fluorophenyl)carbamate
- NSC 10357
- ethyl m-fluorophenylcarbamate
- RDCNKBVMLNCTEV-UHFFFAOYSA-N
- DTXSID90960740
- SCHEMBL11744132
- NSC-10357
- Ethyl hydrogen (3-fluorophenyl)carbonimidate
- NSC10357
- 403-92-9
- AKOS003847056
-
- Inchi： 1S/C9H10FNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
- InChI Key： RDCNKBVMLNCTEV-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)NC(=O)OCC
Computed Properties
- Exact Mass: 183.0696
- Monoisotopic Mass: 183.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 2.4
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- Density: 1.224±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 38.5-39 oC
- Boiling Point: 202.8±23.0 oC (760 Torr),
- Flash Point: 76.5±22.6 oC,
- Solubility: Very slightly soluble (0.35 g/l) (25 o C),
- PSA: 38.33
- LogP: 2.46710
Carbamic acid, (3-fluorophenyl)-, ethyl ester (9CI) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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