Methyl 3-iodo-4-methoxybenzoate

C₉H₉IO₃CAS 35387-93-0292.07 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₉H₉IO₃
Molar mass: 292.07 g/mol
Exact mass: 291.9596 Da
logP: 2.09Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35387-93-0

SMILES

COC1=C(C=C(C=C1)C(=O)OC)I

InChIKey

GHNGBFHLUOJHKP-UHFFFAOYSA-N

InChI

InChI=1S/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3

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Work with Methyl 3-iodo-4-methoxybenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,4-dimethoxybenzoate2150-38-171 % similar Methyl 4-amino-3-iodobenzoate19718-49-168 % similar Methyl 3-iodo-4-methylbenzoate90347-66-367 % similar Methyl 3-amino-4-methoxybenzoate24812-90-665 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-065 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-965 % similar Methyl 3-bromo-4-methoxybenzoate35450-37-463 % similar Methyl 3-chloro-4-methoxybenzoate37908-98-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Iodo-4,5-dimethoxybenzaldehyde32024-15-0

Elsewhere

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