AG002IU5

207115-38-6 | Ethyl 3-iodo-4-methoxybenzoate

AG002IU5

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CAS Number	207115-38-6
Catalog Number	AG002IU5(AGN-PC-0QWE29)
Chemical Name	Ethyl 3-iodo-4-methoxybenzoate
IUPAC Name	ethyl 3-iodo-4-methoxybenzoate
InChI	InChI=1S/C10H11IO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChI Key	RUMDVSAUEUENFW-UHFFFAOYSA-N
MDL Number	MFCD11112913
Molecular Formula	C10H11IO3
Molecular Weight	306.0970
SMILES	O=C(OCC)C1=CC=C(OC)C(I)=C1
Synonyms	ethyl 3-iodo-4-methoxybenzoate, 207115-38-6, SCHEMBL5899536, CTK4E4923, DTXSID10620177, ethyl 3-iodanyl-4-methoxy-benzoate, CE-495, ZINC39951756, AKOS015843525, 3-iodo-4-methoxybenzoic acid ethyl ester, AJ-100838, TC-067089, FT-0652365, Benzoicacid, 3-iodo-4-methoxy-, ethyl ester, A814828, I14-5124, Ethyl3-iodo-4-methoxybenzoate,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.975g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.099g/mol
Monoisotopic Mass	305.975g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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