Ethyl 3-(4-Fluorophenyl)propionate - CAS 7116-38-3

Catalog:	BB034321
Product Name:	Ethyl 3-(4-Fluorophenyl)propionate
CAS:	7116-38-3
Synonyms:	3-(4-fluorophenyl)propanoic acid ethyl ester; ethyl 3-(4-fluorophenyl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(4-fluorophenyl)propanoate
Description:	Ethyl 3-(4-Fluorophenyl)propionate (CAS# 7116-38-3) is a useful research chemical.
Molecular Weight:	196.22
Molecular Formula:	C11H13FO2
Canonical SMILES:	CCOC(=O)CCC1=CC=C(C=C1)F
InChI:	InChI=1S/C11H13FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChI Key:	RFDMUTQYDLCBFL-UHFFFAOYSA-N
Boiling Point:	251.4 °C at 760 mmHg
Density:	1.093 g/cm³
LogP:	2.32140

Publication Number	Title	Priority Date
CN-111087306-A	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
CN-111087306-B	Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis	20191227
WO-2021129138-A1	Method for preparing organic carboxylic ester by means of combinatorial catalysis with aryl bidentate phosphine ligand	20191227
WO-2021043197-A1	Catalyst-free electrochemical deuteration method in which deuterium oxide is deuterium source	20190905
US-2021121465-A1	Ferrochelatase inhibitors and methods of use	20180430

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.08995782
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.08995782
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8