Methyl 4-bromo-3-hydroxybenzoate

C8H7BrO3CAS 106291-80-9231.04 g/mol

Open in Covalent MOL file
OOBrOH
Aryl halideEsterPhenol

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
logP
1.94Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
106291-80-9
SMILES
COC(=O)C1=CC(=C(C=C1)Br)O
InChIKey
VYOFPLOREOHCDP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

Weigh it out

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Work with Methyl 4-bromo-3-hydroxybenzoate

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-bromo-4-hydroxybenzoate29415-97-277 % similar Methyl 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 4-bromo-3-methylbenzoate148547-19-765 % similar Methyl 3-hydroxy-4-methylbenzoate3556-86-365 % similar Methyl 3-hydroxy-4-iodobenzoate157942-12-663 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-663 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-563 % similar Methyl 3-hydroxy-4-methoxybenzoate6702-50-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

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