AG00I6XF

34966-48-8 | Benzeneacetic acid, 4-chloro-a-oxo-, ethyl ester

AG00I6XF

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CAS Number	34966-48-8
Catalog Number	AG00I6XF(AGN-PC-0RADG0)
Chemical Name	Benzeneacetic acid, 4-chloro-a-oxo-, ethyl ester
IUPAC Name	ethyl 2-(4-chlorophenyl)-2-oxoacetate
InChI	InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChI Key	BIELZWDKOJZMOG-UHFFFAOYSA-N
MDL Number	MFCD01319615
Molecular Formula	C10H9ClO3
Molecular Weight	212.6297
SMILES	O=C(C1=CC=C(Cl)C=C1)C(OCC)=O
Synonyms	Ethyl 4-chlorobenzoylformate, 34966-48-8, ethyl 2-(4-chlorophenyl)-2-oxoacetate, ETHYL 4-CHLOROPHENYLGLYOXYLATE, (4-chlorophenyl)glyoxylic acid ethyl ester, ethyl (4-chlorophenyl)(oxo)acetate, AK-48175, ethyl 2-(4-chlorophenyl)-2-oxo-acetate, EN300-65590, PubChem22562, AC1MBZ05, AC1Q31WU, KSC497K7N, Ethyl (4-chlorobenzoyl)formate, SCHEMBL1525403, CTK3J7576, DTXSID40374499, BIELZWDKOJZMOG-UHFFFAOYSA-N, ACT09988, ZINC2245430, ZX-AT021427, BBL103573, CE-866, SBB063091, STL557383, AKOS009157649, AC-5768, AS06815, CS-W004977, MCULE-9746215979, OR30031, QC-1568, RTC-030339, VZ32138, ACM34966488, ethyl 2-oxo-2-(4-chlorophenyl)acetate, KS-0000107Z, ethyl 4-chlorobenzoylformate, AldrichCPR, AJ-34485, AN-10631, BBV-33133720, BC201163, BR-48175, CC-27998, CJ-08074, DS-14619, SC-46507, (4-chlorophenyl)oxoacetic acid ethyl ester, AB0006249, AX8000439, DB-007493, TC-030339, TL8007343, AM20040251, FT-0602476, ST24033173, W5661, A24544, S-1775, alpha-Oxo-4-chlorobenzeneacetic acid ethyl ester, 966E488, Benzeneacetic acid, 4-chloro-a-oxo-, ethyl ester, C-11178, I01-0312, F2167-7139, Z1250132560, Ethyl (4-chlorophenyl)(oxo)acetate;Ethyl 2-(2,4-dichlorophenyl)-2-oxoacetate, Ethyl4-chlorobenzoylformate, C10H9ClO3, ZINC02245430, ACN-050605, CID2758815, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.629g/mol
Monoisotopic Mass	212.024g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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