2-Bromo-4,5-dimethoxybenzoic acid

C₉H₉BrO₄CAS 6286-46-0261.07 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₉BrO₄
Molar mass: 261.07 g/mol
Exact mass: 259.9684 Da
logP: 2.16Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

6286-46-0

SMILES

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

InChIKey

HWFCHCRFQWEFMU-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)

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Work with 2-Bromo-4,5-dimethoxybenzoic 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

2-Bromo-4-methoxy-5-(phenylmethoxy)benzoic acid24958-42-769 % similar 2,4,5-Trimethoxybenzoic acid490-64-269 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-767 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-363 % similar 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-063 % similar 2-Bromo-5-methoxybenzoic acid22921-68-262 % similar 5-Bromo-2-methoxybenzoic acid2476-35-958 % similar 4-Bromo-3-methoxybenzoic acid56256-14-558 % similar

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

Same formula

3-Bromo-4-hydroxy-5-methoxyphenylacetic acid206559-42-4 4-Bromo-3,5-dimethoxybenzoic acid56518-42-4 3-Bromo-2,6-dimethoxybenzoic acid73219-89-3

Elsewhere

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