AG002SHW

262609-07-4 | Diethyl (2,4,6-trifluorophenyl)malonate

AG002SHW

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CAS Number	262609-07-4
Catalog Number	AG002SHW(AGN-PC-0KL1T3)
Chemical Name	Diethyl (2,4,6-trifluorophenyl)malonate
EC Number	607-899-4
IUPAC Name	diethyl 2-(2,4,6-trifluorophenyl)propanedioate
InChI	InChI=1S/C13H13F3O4/c1-3-19-12(17)11(13(18)20-4-2)10-8(15)5-7(14)6-9(10)16/h5-6,11H,3-4H2,1-2H3
InChI Key	VCCISIBKCNTCLR-UHFFFAOYSA-N
MDL Number	MFCD04039210
Molecular Formula	C13H13F3O4
Molecular Weight	290.2351
SMILES	O=C(OCC)C(C1=C(F)C=C(F)C=C1F)C(OCC)=O
Synonyms	262609-07-4, Diethyl (2,4,6-trifluorophenyl)malonate, Diethyl 2-(2,4,6-trifluorophenyl)malonate, Diethyl 2-(2,4,6-trifluorophenyl)propanedioate, 2-(2,4,6-Trifluoro-phenyl)-malonic acid diethyl ester, PubChem13676, AC1MD2SV, SCHEMBL1477896, CTK3J6400, DTXSID40382195, VCCISIBKCNTCLR-UHFFFAOYSA-N, ZINC2525731, ZX-AP001319, Diethyl 2,4,6Trifluorophenylmalonate, MFCD04039210, TE6064, AKOS005254604, Diethyl 2,4,6-trifluorophenylmalonate, MCULE-7840031239, PC10101, Diethyl 2,4,6-trifluorophenyl malonate, AJ-37509, AN-29222, diethyl (2,4,6-trifluorophenyl)-malonate, AX8124563, DB-067594, Diethyl (2,4,6-trifluoro-phenyl)-malonate, RT-002995, FT-0649628, Diethyl (2,4,6-trifluorophenyl)propanedioate, DIETHYL-2,4,6-TRIFLUOROPHENYL MALONATE, K-6820, 609D074, A818348, 2-(2,4,6-triflorophenyl)malonic acid diethyl ester, 1,3-diethyl 2-(2,4,6-trifluorophenyl)propanedioate, 2-(2,4,6-trifluorophenyl)-malonic acid diethyl ester, Diethyl 2-(2,4,6-trifluorophenyl)propane-1,3-dioate, diethyl 2-[2,4,6-tris(fluoranyl)phenyl]propanedioate, I14-100206, 2-(2,4,6-trifluorophenyl)propanedioic acid diethyl ester, Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester, 262209-07-4, CID2782662,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.077g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.238g/mol
Monoisotopic Mass	290.077g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

Lot Number