AG007RDO

1951-26-4 | 2-n-Butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran

AG007RDO

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CAS Number	1951-26-4
Catalog Number	AG007RDO(AGN-PC-0JLBU3)
Chemical Name	2-n-Butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran
EC Number	217-773-7
IUPAC Name	(2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
InChI	InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
InChI Key	PNFMEGSMKIHDFZ-UHFFFAOYSA-N
MDL Number	MFCD02675787
Molecular Formula	C19H16I2O3
Molecular Weight	546.1375
NSC Number	85437
SMILES	O=C(C1=C(CCCC)OC2=CC=CC=C12)C3=CC(I)=C(O)C(I)=C3
UNII	D8YC83C05N
Synonyms	1951-26-4, 2-butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran, 2-Butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran, UNII-D8YC83C05N, (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone, 2-Butyl-3-(4-hydroxy3,5-diiodobenyl)-benzofuran, 3-(4-Hydroxy-3,5-diiodo)-benzoyl-2-butyl benzofuran, D8YC83C05N, (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone, CHEBI:79661, L-3373, NSC85437, W-107694, (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone, Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-, 2-butyl-3-[3,5-diiodo-4-hydroxybenzoyl]benzofuran, C19H16I2O3, EINECS 217-773-7, PubChem7081, AC1L2MMD, AC1Q4PEU, C15143, Amiodarone Related Compound 2, SCHEMBL6335384, 2-n-Butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran, CHEMBL3526986, BDBM18962, CTK0H6799, DTXSID20173164, PNFMEGSMKIHDFZ-UHFFFAOYSA-N, (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone, ZINC3981799, (2-Butyl-benzofuran-3-yl)-(4-hydroxy-3,5-diiodo-phenyl)-methanone, MFCD02675787, NSC-85437, AKOS015889739, API0007059, VZ24131, AC-13412, AN-50141, AS-12154, BC206200, SC-02124, AB0011406, DB-020748, FT-0633932, L 3373, 951B264, C-23176, 2-Butyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran, I01-3363, 2-butyl-3-(3,5-diiodo-4-hydroxy benzoyl)benzofuran, 2-n-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran, 3-(4-hydroxy-3,5-diiodo)-benzoyl-2-butylbenzofuran, 2-butyl-3-benzofuranyl3,5-diiodo-4-hydroxyphenylketone, 2-Butyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl ketone, 2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzo-furan, 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenol, (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone, 2-BUTYL-3-(3',5-DIIODO-4-HYDROXYBENZONYL)-BENZOFUR, 2-BUTYL-3-(3',5-DIIODO-4-HYDROXYBENZONYL)-BENZOFURAN, (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-methanone, (2-butylbenzofuran-3-yl)-(4-hydroxy-3,5-diiodo-phenyl)methanone, benzofuran derivative, Amiodarone EP Impurity D, KST-1A2503, CID74769, AR-1A2182, C19-H16-I2-O3, CS-O-07161, B4938, 2-Butyl-3-(3',5'-diiodo-4-hydroxybenzonyl)benzofuran, 2-Butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofurane, 199594-60-0,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	545.919g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	546.143g/mol
Monoisotopic Mass	545.919g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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