AG003Q8S

338982-35-7 | Ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate

AG003Q8S

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CAS Number	338982-35-7
Catalog Number	AG003Q8S(AGN-PC-06HX90)
Chemical Name	Ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate
IUPAC Name	ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C12H11ClO4/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChI Key	CYWSDZSLUSCKMG-UHFFFAOYSA-N
MDL Number	MFCD01935971
Molecular Formula	C12H11ClO4
Molecular Weight	254.6663
SMILES	O=C(OCC)C(CC(C1=CC=CC=C1Cl)=O)=O
Synonyms	ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate, 338982-35-7, 2-Chloro-a,g-dioxo-benzenebutanoic acid ethyl ester, EN300-54880, AC1Q31XN, SCHEMBL13499113, CTK6F3420, KS-00000BU0, 6752AJ, MFCD01935971, AKOS000210400, ZINC100025926, MCULE-9220050767, TRA0067175, AK159044, OR314006, SY028163, AX8268969, ST2406938, Ethyl4-(2-Chlorophenyl)-2,4-dioxobutanoate, FT-0736187, Z-3789, MFCD01935971 (95+%), Z234894075, C12H11ClO4,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.666g/mol
Monoisotopic Mass	254.035g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number