AG00CA90

3337-66-4 | METHYL 3,5-DIIODO-4-HYDROXYBENZOATE

AG00CA90

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CAS Number	3337-66-4
Catalog Number	AG00CA90(AGN-PC-0NI2Y5)
Chemical Name	METHYL 3,5-DIIODO-4-HYDROXYBENZOATE
IUPAC Name	methyl 4-hydroxy-3,5-diiodobenzoate
InChI	InChI=1S/C8H6I2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
InChI Key	MBNGCRHTBSWFLS-UHFFFAOYSA-N
MDL Number	MFCD03425425
Molecular Formula	C8H6I2O3
Molecular Weight	403.9404
SMILES	C(=O)(OC)c1cc(I)c(c(c1)I)O
Synonyms	Methyl 4-hydroxy-3,5-diiodobenzoate, 3337-66-4, METHYL 3,5-DIIODO-4-HYDROXYBENZOATE, 4-Hydroxy-3,5-diiodo-benzoic acid methyl ester, AK-89497, 3,5-Diiodo-4-hydroxybenzoic acid methyl ester, SCHEMBL5223931, CTK4H0504, DTXSID70480456, MBNGCRHTBSWFLS-UHFFFAOYSA-N, KS-00000QL7, ANW-67250, MFCD03425425, ZINC38888013, AKOS016006654, ACM3337664, FCH1335179, AJ-97094, DS-16502, AX8237972, TC-155995, CS-0039845, Benzoic acid,4-hydroxy-3,5-diiodo-, methyl ester, Methyl4-hydroxy-3,5-diiodobenzoate,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	403.841g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	403.942g/mol
Monoisotopic Mass	403.841g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number