Name: Ethyl 2-(4-amino-2-fluorophenyl)acetate - ≥97% , CAS No.73781-63-2
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Fluorobenzenes Aryl fluorides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.210 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	197.085 Da
Monoisotopic Mass	197.085 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199.000
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

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Reviews

Canonical Smiles	CCOC(=O)CC1=C(C=C(C=C1)N)F
IUPAC Name	ethyl 2-(4-amino-2-fluorophenyl)acetate
InChIKey	CKHZQBGGRYVXEB-UHFFFAOYSA-N
INCHI	1S/C10H12FNO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5,12H2,1H3
Isomeric SMILES	CCOC(=O)CC1=C(C=C(C=C1)N)F
Molecular Weight	197.2
Reaxy-Rn	15522986
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15522986&ln=

Ethyl 2-(4-amino-2-fluorophenyl)acetate - ≥97% , CAS No.73781-63-2

Specifications