AG0022TA

1813-93-0 | Benzeneacetic acid, 2-fluoro-α-oxo-, ethyl ester

AG0022TA

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CAS Number	1813-93-0
Catalog Number	AG0022TA(AGN-PC-0QC0IQ)
Chemical Name	Benzeneacetic acid, 2-fluoro-α-oxo-, ethyl ester
IUPAC Name	ethyl 2-(2-fluorophenyl)-2-oxoacetate
InChI	InChI=1S/C10H9FO3/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChI Key	YMBISXZGELJNMH-UHFFFAOYSA-N
MDL Number	MFCD09801420
Molecular Formula	C10H9FO3
Molecular Weight	196.1751
SMILES	O=C(OCC)C(C1=CC=CC=C1F)=O
Synonyms	Ethyl 2-fluorobenzoylformate, 1813-93-0, ethyl 2-(2-fluorophenyl)-2-oxoacetate, ETHYL (2-FLUOROPHENYL)(OXO)ACETATE, Ethyl2-fluorobenzoylformate, PubChem16722, SCHEMBL2498608, CTK4D7860, DTXSID40616568, ethyl(2-fluorophenyl)(oxo)acetate, YMBISXZGELJNMH-UHFFFAOYSA-N, 9512AA, ANW-62020, MFCD09801420, ZINC43209615, AKOS006328838, ethyl 2-fluorobenzoylformate, AldrichCPR, AK102554, BBV-38307264, SY032594, 2-Fluoro-oxo-benzeneacetic acid ethyl ester, AJ-108291, AX8234093, DB-065362, TR-008337, BB 0261830, FT-0682413, (2-Fluorophenyl)-oxo-acetic acid ethyl ester, MFCD09801420 (95%), alpha-Oxo-2-fluorobenzeneacetic acid ethyl ester, Benzeneacetic acid, 2-fluoro-alpha-oxo-, ethyl ester, I01-14994, C10H9FO3, CB11285, A4022,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.177g/mol
Monoisotopic Mass	196.054g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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