3,5-Dibromo-4-methoxybenzoic acid

C₈H₆Br₂O₃CAS 4073-35-2309.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₆Br₂O₃
Molar mass: 309.94 g/mol
Exact mass: 307.8684 Da
logP: 2.92Crippen 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

4073-35-2

SMILES

COC1=C(C=C(C=C1Br)C(=O)O)Br

InChIKey

NAHPGFGVWWKSFU-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)

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Work with 3,5-Dibromo-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

3-Bromo-4-methoxybenzoic acid99-58-164 % similar Eudesmic acid118-41-264 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-063 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-862 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-461 % similar 3,5-Difluoro-4-methoxybenzoic acid319-60-860 % similar 4-Bromo-3,5-dimethoxybenzoic acid56518-42-460 % similar 4-Bromo-3-methoxybenzoic acid56256-14-559 % similar

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

Same formula

2,4-Dibromophenoxyacetic acid10129-78-9 3,5-Dibromo-2-methoxybenzoic acid13130-23-9 Methyl 3,5-dibromosalicylate21702-79-4 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-3 Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-3

Elsewhere

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