AG001KYF

148490-97-5 | Benzoic acid, 4-iodo-2-methoxy-, methyl ester

AG001KYF

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CAS Number	148490-97-5
Catalog Number	AG001KYF(AGN-PC-03RC63)
Chemical Name	Benzoic acid, 4-iodo-2-methoxy-, methyl ester
EC Number	604-637-0
IUPAC Name	methyl 4-iodo-2-methoxybenzoate
InChI	InChI=1S/C9H9IO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChI Key	MCNOTXROWOGSGU-UHFFFAOYSA-N
MDL Number	MFCD06797865
Molecular Formula	C9H9IO3
Molecular Weight	292.0704
SMILES	COC(=O)C1=C(OC)C=C(I)C=C1
Synonyms	Methyl 4-iodo-2-methoxybenzoate, 148490-97-5, 4-Iodo-2-methoxybenzoic acid methyl ester, Benzoic acid,4-iodo-2-methoxy-, methyl ester, MFCD06797865, 4-Iodo-2-methoxy-benzoic acid methyl ester, PubChem4974, ACMC-20adk9, Methyl4-iodo-2-methoxybenzoate, SCHEMBL1402749, methyl-4-iodo-2-methoxybenzoate, CTK4C5824, KS-00002ADO, DTXSID30626999, MCNOTXROWOGSGU-UHFFFAOYSA-N, ZINC3880875, 7394AA, ANW-68503, SBB064630, AKOS005147320, AS02320, PS-5224, AJ-46576, SC-01222, 2-Methoxy-4-iodo-benzoic acid methyl ester, RT-013836, FT-0651589, A20380, Benzoic acid, 4-iodo-2-methoxy-, methyl ester, I01-5285, C9H9IO3,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	292.072g/mol
Monoisotopic Mass	291.96g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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