2-Bromo-6-methoxybenzoic acid

C₈H₇BrO₃CAS 31786-45-5231.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
logP: 2.16Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

31786-45-5

SMILES

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

InChIKey

BNYFDICJYCBPRW-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Bromo-6-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

2,6-Dimethoxybenzoic acid1466-76-877 % similar 3-Bromo-2,6-dimethoxybenzoic acid73219-89-368 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-667 % similar 2-Amino-6-methoxybenzoic acid53600-33-267 % similar 2-Methoxy-6-methylbenzoic acid6161-65-567 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-865 % similar 2,6-Dibromobenzoic acid601-84-365 % similar 2-Amino-6-bromobenzoic acid20776-48-158 % 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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