AG0037Q4

51839-15-7 | Dimethyl 5-iodoisophthalate

AG0037Q4

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CAS Number	51839-15-7
Catalog Number	AG0037Q4(AGN-PC-0KKMLR)
Chemical Name	Dimethyl 5-iodoisophthalate
IUPAC Name	dimethyl 5-iodobenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChI Key	DIAONVDUSXRXCE-UHFFFAOYSA-N
MDL Number	MFCD00079753
Molecular Formula	C10H9IO4
Molecular Weight	320.0805
SMILES	IC=1C=C(C=C(C(=O)OC)C1)C(=O)OC
Synonyms	Dimethyl 5-iodoisophthalate, 51839-15-7, 5-Iodoisophthalic acid dimethyl ester, Dimethyl 5-iodosophthalate, 5-Iodo-isophthalic acid dimethyl ester, Dimethyl-5-iodobenzene-1,3-dicarboxylate, 1,3-dimethyl 5-iodobenzene-1,3-dicarboxylate, AK-41351, dimethyl 5-iodobenzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid, 5-iodo-, dimethyl ester, DIMETHYL5-IODOISOPHTHALATE, AC1MBYGH, PubChem17500, dimethyl-5-iodisophthalate, dimethyl 5-iodo-isophthalate, SCHEMBL475680, CTK4J4968, DIAONVDUSXRXCE-UHFFFAOYSA-, DTXSID20374396, DIAONVDUSXRXCE-UHFFFAOYSA-N, 1,3-Benzenedicarboxylic acid, 5-iodo-, 1,3-dimethyl ester, BCP26804, EBD26080, ZINC2571860, ANW-48691, FC0869, MFCD00079753, RW1164, AKOS005215970, AS06170, CM13830, CS-W005045, GS-3041, OR01016, QC-4182, KS-000025X0, AJ-41941, AN-41153, BC682674, BR-41351, SC-16699, DIMETHYL 5-IODOBENZENE-1,3-DIOATE, AB0010361, AB1007114, AX8000450, DB-007429, ST2406812, TR-018457, FT-0081037, FT-0601870, M-1206, C-19634, 3-(Methoxycarbonyl)-5-iodobenzoic acid methyl ester, I01-8401, 1,3-Benzenedicarboxylicacid, 5-iodo-, 1,3-dimethyl ester, InChI=1/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3, null, 3,4-DICHLOROANILINE, C10H9IO4, ZINC02571860, CID2758568, A7632, Dimethyl 5-iodoisophthalate, 97% - 1G 1g,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	319.955g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	320.082g/mol
Monoisotopic Mass	319.955g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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