AG00IAC8

58101-23-8 | Benzenepropanoic acid, 2,4-difluoro-b-oxo-, ethyl ester

AG00IAC8

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CAS Number	58101-23-8
Catalog Number	AG00IAC8(AGN-PC-0SP0CX)
Chemical Name	Benzenepropanoic acid, 2,4-difluoro-b-oxo-, ethyl ester
IUPAC Name	ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChI Key	UFAHWLKYHPRYSY-UHFFFAOYSA-N
MDL Number	MFCD03424828
Molecular Formula	C11H10F2O3
Molecular Weight	228.1921
SMILES	CCOC(=O)CC(=O)C1=C(F)C=C(F)C=C1
Synonyms	ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate, 58101-23-8, ethyl 2,4-difluorobenzoylacetate, ethyl 3-(2,4-difluorophenyl)-3-oxopropionate, 3-(2,4-Difluorophenyl)-3-oxo-propionic acid ethyl ester, AC1MBXXF, PubChem16790, SCHEMBL2080446, CTK6F8224, KS-00001KJX, DTXSID30374281, UFAHWLKYHPRYSY-UHFFFAOYSA-N, Ethyl (2,4-difluorobenzoyl)acetate, ZINC2575926, ZX-AP012244, ANW-58409, MFCD03424828, PC1842, SBB097269, AKOS009259506, AC-7780, AJ-42459, AS-31471, BC211370, SC-78898, SY058427, AX8128074, BC4172499, TC-147154, FT-0689880, MFCD03424828 (95%), I01-2624, 2,4-Difluoro-beta-oxobenzenepropanoic acid ethyl ester, Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate, 92%, ETHYL?-(2,4-DIFLUOROPHENYL)-3-OXOPROPANOATE, 3-(2,4-difluorophenyl)-3-oxopropanoic acid ethyl ester, Benzenepropanoic acid, 2,4-difluoro-b-oxo-, ethyl ester, 3-(2,4-difluoro-phenyl)-3-oxo-propionic acid ethyl ester, Benzenepropanoic acid, 2,4-difluoro-beta-oxo-, ethyl ester, 3-(2,4-DIFLUOROPHENYL)-3-OXO-PROPIONIC ACID ETHYLESTER, ZINC02575926, CID2758338, ETHYL2,4-DIFLUOROBENZOYLACETATE,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.06g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.195g/mol
Monoisotopic Mass	228.06g/mol
Rotatable Bond Count	5
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	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number