AG003640

35453-19-1 | 5-Amino-2,4,6-triiodoisophthalic acid

AG003640

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CAS Number	35453-19-1
Catalog Number	AG003640(AGN-PC-0KNVTB)
Chemical Name	5-Amino-2,4,6-triiodoisophthalic acid
EC Number	252-575-4
IUPAC Name	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChI Key	JEZJSNULLBSYHV-UHFFFAOYSA-N
MDL Number	MFCD00190167
Molecular Formula	C8H4I3NO4
Molecular Weight	558.8351
SMILES	NC=1C(=C(C(=C(C(=O)O)C1I)I)C(=O)O)I
UNII	A17G990RT0
Synonyms	5-amino-2,4,6-triiodoisophthalic acid, 5-Amino-2,4,6-triiodoisophthalic acid, 35453-19-1, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, UNII-A17G990RT0, MFCD00190167, 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid, 5-AMINO-2,4,6-IODOISOPHTHALIC ACID, A17G990RT0, 1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, C8H4I3NO4, EINECS 252-575-4, 5-Amino-2,4,6-triiodoisophthalicacid, 4b9h, AC1MI1TD, Isophthalic acid, 5-amino-2,4,6-triiodo-, ACMC-209ih0, EC 252-575-4, KSC224S6B, MLS006011502, ARONIS25361, SCHEMBL377437, CTK1C4960, DTXSID10188969, EBD4509, JEZJSNULLBSYHV-UHFFFAOYSA-N, BCP13935, KS-00000FE1, ZINC4806327, ANW-28210, STL290529, AKOS005287314, AC-8409, AN-8018, MCULE-5235878606, 2,4,6-Triiodo-5-aminoisophthalic acid, KS-0000478F, AK-25838, AS-12308, BC204247, BR-25838, SC-13633, SMR002528285, SY030125, AB0006260, RT-003283, AM20060610, FT-0619972, ST24032891, ST45054162, MFCD00190167 (95%), 5-Amino-2,4,6-triiodoisophthalic acid, 95%, M-5367, SR-01000944807, I01-1635, I04-0147, SR-01000944807-1, W-106670, 5-amino-2,4,6-triiodo-benzene-1,3-dicarboxylic acid, Z1270446351, 5-Amino-2,4,6-triiodoisophthalic acid, analytical standard, InChI=1/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16, C8-H4-I3-N-O4, 2-methylpropane-1-sulfonyl Chloride, CID3015783, A1406, 5-Amino-2,4,6-triiodoisophthalic acid, 95% 10g, I3C,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	558.727g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	558.836g/mol
Monoisotopic Mass	558.727g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

Lot Number