AG00CAFJ

342636-36-6 | Ethyl 5-(4-fluorophenyl)-5-oxovalerate

AG00CAFJ

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CAS Number	342636-36-6
Catalog Number	AG00CAFJ(AGN-PC-0WCDSF)
Chemical Name	Ethyl 5-(4-fluorophenyl)-5-oxovalerate
IUPAC Name	ethyl 5-(4-fluorophenyl)-5-oxopentanoate
InChI	InChI=1S/C13H15FO3/c1-2-17-13(16)5-3-4-12(15)10-6-8-11(14)9-7-10/h6-9H,2-5H2,1H3
InChI Key	TWLQYFQKWODQQD-UHFFFAOYSA-N
MDL Number	MFCD01311503
Molecular Formula	C13H15FO3
Molecular Weight	238.2548
SMILES	O=C(OCC)CCCC(C1=CC=C(F)C=C1)=O
Synonyms	ETHYL 5-(4-FLUOROPHENYL)-5-OXOVALERATE, 342636-36-6, ethyl5-(4-fluorophenyl)-5-oxopentanoate, SCHEMBL2743554, CTK4H2029, DTXSID10592567, ZINC2574588, 7503c, MFCD01311503, AKOS016022648, ACM342636366, ethyl 5-(4-fluorophenyl)-5-oxopentanoate, CS-0061626, K-7835,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.101g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.258g/mol
Monoisotopic Mass	238.101g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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