AG003IU6

3119-15-1 | 3-Amino-2,4,6-triiodobenzoic acid

AG003IU6

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CAS Number	3119-15-1
Catalog Number	AG003IU6(AGN-PC-0JKE1S)
Chemical Name	3-Amino-2,4,6-triiodobenzoic acid
EC Number	221-493-0
IUPAC Name	3-amino-2,4,6-triiodobenzoic acid
InChI	InChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
InChI Key	QMQFFHSJUJDRPG-UHFFFAOYSA-N
MDL Number	MFCD00007681
Molecular Formula	C7H4I3NO2
Molecular Weight	514.8256
NSC Number	60105
SMILES	O=C(O)C1=C(I)C=C(I)C(N)=C1I
UNII	99H77D8MTD
Synonyms	3-amino-2,4,6-triiodobenzoic acid, 3-amino-2,4,6-triiodobenzoic acid monosodium salt, 3-Amino-2,4,6-triiodobenzoic acid, 3119-15-1, 3-Amino-2,4,6-triiodo-benzoic acid, UNII-99H77D8MTD, MFCD00007681, EINECS 221-493-0, NSC 60105, BRN 2113495, 99H77D8MTD, Acido 3-amino-2,4,6-triiodobenzoico [Italian], BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-, C7H4I3NO2, NSC60105, 3-Amino-2,4,6-triiodo-Benzoicacid, Acido 3-amino-2,4,6-triiodobenzoico, PubChem4987, AC1L2BXQ, ACMC-1CO9W, 4-14-00-01118 (Beilstein Handbook Reference), SCHEMBL124763, CTK3J6413, DTXSID60185120, QMQFFHSJUJDRPG-UHFFFAOYSA-N, ALBB-010232, ZINC4235679, 2,4,6-triiodo-3-aminobenzoic acid, 3-Amino-2,4,6- Trijodbenzoesaure, ANW-44823, NSC-60105, SBB057028, 2,4,6-triiodo-3-amino-benzoic acid, AKOS003382317, AC-8763, AN-7688, MCULE-9775464336, VZ26248, LS-36066, U348, RT-003002, ST2404868, FT-0614923, R1183, ST45027563, TL80090824, 3-AMINO-2,4,6-TRIIODO BENZOIC ACID, A18618, I01-0019, W-109863, Z1259273374, 3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water, 3-Amino-2,4,6-triiodobenzoic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13, C7-H4-I3-N-O2, CID18387,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	514.738g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	514.827g/mol
Monoisotopic Mass	514.738g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312+P330-P305+P351+P338
UN Code

Certificate of Analysis

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