AG00CLG2

31686-94-9 | Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate

AG00CLG2

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CAS Number	31686-94-9
Catalog Number	AG00CLG2(AGN-PC-0R72ED)
Chemical Name	Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
IUPAC Name	ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C12H11FO4/c1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChI Key	LVLZSYCLOPEBSR-UHFFFAOYSA-N
MDL Number	MFCD02672449
Molecular Formula	C12H11FO4
Molecular Weight	238.2117
SMILES	CCOC(=O)C(=O)CC(=O)C1=CC=C(F)C=C1
Synonyms	Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate, 31686-94-9, LVLZSYCLOPEBSR-UHFFFAOYSA-N, AK-84641, Ethyl 4-[4-fluorophenyl]-2,4-dioxobutyrate, AC1LC92C, SCHEMBL1739390, CTK8B7702, DTXSID90344400, ethyl 3-(4-fluorobenzoyl)pyruvate, KS-00000PA0, ANW-58245, MFCD02672449, AKOS000210885, ZINC100025948, ACM31686949, DS-17462, AX8219551, ST2406942, TC-146990, 4CH-018466, ST51079192, Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate #, 4-(4-fluorophenyl)-2,4-dioxo-butyric acid ethyl ester, 4-(4-Fluorophenyl)-2,4-dioxobutanoic acid ethyl ester, CID596593, Ethyl4-(4-fluorophenyl)-2,4-dioxobutanoate,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.064g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.214g/mol
Monoisotopic Mass	238.064g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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