The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Ethyl 2-(2-fluorophenyl)-2-oxoacetate - 95%, high purity , CAS No.1813-93-0
Basic Description
Synonyms
1813-93-0 | ethyl 2-(2-fluorophenyl)-2-oxoacetate | Ethyl 2-fluorobenzoylformate | MFCD09801420 | ETHYL (2-FLUOROPHENYL)(OXO)ACETATE | Benzeneacetic acid, 2-fluoro-alpha-oxo-, ethyl ester | 2-Fluoro-oxo-benzeneacetic acid ethyl ester | SCHEMBL2498608 | DTXSID40616568 | eth
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Fluorobenzenes Aryl fluorides Alpha-keto acids and derivatives Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl ketone - Benzoyl - Halobenzene - Fluorobenzene - Alpha-keto acid - Aryl fluoride - Aryl halide - Keto acid - Vinylogous halide - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
ethyl 2-(2-fluorophenyl)-2-oxoacetate
INCHI
InChI=1S/C10H9FO3/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKey
YMBISXZGELJNMH-UHFFFAOYSA-N
Smiles
CCOC(=O)C(=O)C1=CC=CC=C1F
Isomeric SMILES
CCOC(=O)C(=O)C1=CC=CC=C1F
Molecular Weight
196.2
Reaxy-Rn
2644118
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2644118&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.170 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
196.054 Da
Monoisotopic Mass
196.054 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
227.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
