chempirical

4-Bromo-3-methoxybenzoic acid

C8H7BrO3CAS 56256-14-5231.04 g/mol

Open in Covalent MOL file
OOOHBr
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
logP
2.16Crippen estimate
Polar surface area
46.5 Ų
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
56256-14-5
SMILES
COC1=C(C=CC(=C1)C(=O)O)Br
InChIKey
UEVXVBKBOFGKIN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)

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Work with 4-Bromo-3-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 acid99-58-177 % similar Veratric acid93-07-271 % similar Vanillic acid121-34-665 % similar 4-Amino-3-methoxybenzoic acid2486-69-365 % similar 3-Methoxy-4-methylbenzoic acid7151-68-065 % similar 4-Bromo-3,5-dimethoxybenzoic acid56518-42-464 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-263 % similar 4-Chloro-3-methoxybenzoic acid85740-98-363 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9

Elsewhere

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