AG003PZF

63131-30-6 | ETHYL (4-IODOBENZOYL)ACETATE

AG003PZF

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CAS Number	63131-30-6
Catalog Number	AG003PZF(AGN-PC-0T794G)
Chemical Name	ETHYL (4-IODOBENZOYL)ACETATE
IUPAC Name	ethyl 3-(4-iodophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11IO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key	DOIUIJYPQHAHLM-UHFFFAOYSA-N
MDL Number	MFCD03701540
Molecular Formula	C11H11IO3
Molecular Weight	318.1077
SMILES	O=C(OCC)CC(C1=CC=C(I)C=C1)=O
Synonyms	ethyl 3-(4-iodophenyl)-3-oxopropanoate, 63131-30-6, Ethyl (4-iodobenzoyl)acetate, ethyl 4-iodobenzoylacetate, ETHYL (4-IDOBENZOYL) ACETATE, AK-86466, BENZENEPROPANOIC ACID, 4-IODO-BETA-OXO-, ETHYL ESTER, ACMC-1BIVL, AC1MT1UX, SCHEMBL788221, CTK5B7716, DTXSID70393971, DOIUIJYPQHAHLM-UHFFFAOYSA-N, ACT02843, KS-00000G5C, ZINC2509875, ANW-46235, Ethyl (4-iodobenzoyl)acetate, 95%, MFCD03701540, AKOS015998801, AS06113, CM13720, Ethyl 3-(4-Iodophenyl)-3-oxopropionate, AJ-36361, DS-18183, AX8127756, DB-073264, TC-134980, FT-0730811, ST24030545, W7513, J3.601.452K, beta-Oxo-4-iodobenzenepropanoic acid ethyl ester, 4-IODO-BETA-OXO-BENZENEPROPANOIC ACID ETHYL ESTER, C11H11IO3, CID3593589, Ethyl 3-(4-iodophenyl)-3-oxo-propanoate,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.975g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.11g/mol
Monoisotopic Mass	317.975g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^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

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