AG005X5K

7116-38-3 | 3-(4-Fluoro-phenyl)-propionic acid ethyl ester

AG005X5K

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CAS Number	7116-38-3
Catalog Number	AG005X5K(AGN-PC-00GR69)
Chemical Name	3-(4-Fluoro-phenyl)-propionic acid ethyl ester
IUPAC Name	ethyl 3-(4-fluorophenyl)propanoate
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
MDL Number	MFCD07772966
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	CCOC(=O)CCC1=CC=C(F)C=C1
Synonyms	Ethyl 3-(4-fluorophenyl)propanoate, 7116-38-3, ethyl 3-(4-fluorophenyl)propionate, 3-(4-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER, Benzenepropanoic acid, 4-fluoro-, ethyl ester, SCHEMBL1936446, CTK5D3599, DTXSID70473505, RFDMUTQYDLCBFL-UHFFFAOYSA-N, KS-00000P9G, Ethyl-3-(4-Fluorophenyl)propionate, 1042AC, ANW-66291, MFCD07772966, ZINC36456228, AKOS006230265, 4-Fluorobenzenepropanoic acid ethyl ester, AJ-92922, AK-72737, AS-10073, SY043383, ST2406913, TC-155036, 4CH-017942, CS-0061625, MFCD07772966 (95%), 3-(4-FLUORO-PHENYL)-PROPANOIC ACID ETHYL ESTER, C11H13FO2, CID11816416,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.221g/mol
Monoisotopic Mass	196.09g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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