AG00C5BA

35387-92-9 | Methyl-4-iodo-3-methoxy benzoate

AG00C5BA

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CAS Number	35387-92-9
Catalog Number	AG00C5BA(AGN-PC-0054LE)
Chemical Name	Methyl-4-iodo-3-methoxy benzoate
IUPAC Name	methyl 4-iodo-3-methoxybenzoate
InChI	InChI=1S/C9H9IO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChI Key	GALFBPQYWHBOPA-UHFFFAOYSA-N
MDL Number	MFCD07367493
Molecular Formula	C9H9IO3
Molecular Weight	292.0704
SMILES	COC(=O)C1=CC(OC)=C(I)C=C1
Synonyms	Methyl 4-iodo-3-methoxybenzoate, 35387-92-9, METHYL-4-IODO-3-METHOXY BENZOATE, 4-Iodo-3-methoxy-benzoic acid methyl ester, Benzoic acid, 4-iodo-3-methoxy-, methyl ester, 4-IODO-3-METHOXYBENZOIC ACID METHYL ESTER, methyl4-iodo-3-methoxybenzoate, SCHEMBL1786161, CTK8B7038, DTXSID20459935, GALFBPQYWHBOPA-UHFFFAOYSA-N, ZINC8700305, 4411AB, ANW-56206, methyl 4-iodo-3-(methyloxy)benzoate, MFCD07367493, AKOS015852155, AB31122, FCH1382809, LD-0737, MCULE-2587668755, RP15830, ACM35387929, KS-000027I1, AJ-58346, AK-31799, OR400591, SC-66253, 3-Methoxy-4-iodobenzoic acid methyl ester, AX8139826, DB-069204, TC-064390, A6206, BB 0257250, CS-0045004, FT-0682375, TL80090661, Z-8089, I01-15475, C9H9IO3, Methyl 4-iodo-3-methoxy-benzoate, CID11243290, 6954-69-4,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number