AG003QB3

51934-41-9 | Ethyl 4-Iodobenzoate

AG003QB3

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CAS Number	51934-41-9
Catalog Number	AG003QB3(AGN-PC-0JMSWZ)
Chemical Name	Ethyl 4-Iodobenzoate
IUPAC Name	ethyl 4-iodobenzoate
InChI	InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key	YCBJOQUNPLTBGG-UHFFFAOYSA-N
MDL Number	MFCD00017344
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(OCC)C1=CC=C(I)C=C1
UNII	52J05H935T
Synonyms	Ethyl 4-iodobenzoate, 51934-41-9, p-Iodobenzoic acid ethyl ester, 4-Iodobenzoic Acid Ethyl Ester, ethyl p-iodobenzoate, ethyl-4-iodobenzoate, 4-iodo-benzoic acid ethyl ester, UNII-52J05H935T, Ethyl 4-iodobenzoate, 97%, Benzoicacid,4-iodo-,ethylester, YCBJOQUNPLTBGG-UHFFFAOYSA-N, Benzoic acid, 4-iodo-, ethyl ester, MFCD00017344, 52J05H935T, ETHYL4-IODOBENZOATE, ethyl-4 iodobenzoate, Ethyl,4-iodobenzoate, PubChem3886, ethyl 4-iodo-benzoate, ethyl-4-iodo-benzoate, Ethyl -4-iodobenzoate, ACMC-209kwr, 4-Iodobenzoic acid ethyl, AC1L3M1R, para-carbethoxy iodo-benzene, DSSTox_CID_29267, DSSTox_RID_83386, DSSTox_GSID_49311, KSC273C3B, SCHEMBL203959, RARECHEM AL BI 0710, CHEMBL3185411, DTXSID0049311, CTK1H3130, YCBJOQUNPLTBGG-UHFFFAOYSA-, 1-iodo-4-(ethoxycarbonyl)benzene, ZINC157316, ACT08383, EBD38279, KS-00000JG1, Tox21_202840, ANW-31369, CE-674, LABOTEST-BB LT01148245, SBB058455, WT1358, 51934-41-9 Ethyl 4-iodobenzoate, AKOS005258847, AS02162, CS-W007981, MCULE-2757021666, PS-7245, RP17610, RTR-018483, TRA0066029, NCGC00260386-01, PARA-IODOBENZOIC ACID ETHYL ESTER, AJ-14981, AK-43962, AN-41173, BC206124, SC-05000, ZB006639, AB0006694, AB1008066, CAS-51934-41-9, DB-014802, TR-018483, AM20040617, FT-0625764, FT-0626278, I0369, ST24030619, ST51021257, M-1417, 95694-EP2301928A1, 95694-EP2305627A1, I01-0745, W-200554, InChI=1/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3, IBE, C9H9IO2, Ethyl 4-iodobenzoate, 98% 10g, CID142891, Ethyl 4-iodobenzoate, 97% - 25G 25g, A7641,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number