3-Iodo-4-methoxybenzoic acid

C₈H₇IO₃CAS 68507-19-7278.05 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇IO₃
Molar mass: 278.05 g/mol
Exact mass: 277.9440 Da
logP: 2.00Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
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

68507-19-7

SMILES

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

InChIKey

HNJSYSWRPCCSQI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Iodo-4-methoxybenzoic acid

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

Veratric acid93-07-271 % similar 4-Methoxy-3-methylbenzoic acid6880-04-269 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 3-Amino-4-methoxybenzoic acid2840-26-865 % similar Isovanillic acid645-08-965 % similar 3-Methoxy-4-methylbenzoic acid7151-68-065 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-965 % similar Methyl 3-iodo-4-methoxybenzoate35387-93-063 % similar

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

Same formula

Methyl 3-hydroxy-4-iodobenzoate157942-12-6 Methyl 2-hydroxy-4-iodobenzoate18179-39-0 4-Iodophenoxyacetic acid1878-94-0 Methyl 5-iodosalicylate4068-75-1 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-8

Elsewhere

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