6-Bromo-2-hydroxy-3-methoxybenzaldehyde

C8H7BrO3CAS 20035-41-0231.04 g/mol

Open in Covalent MOL file
OBrOHO
AldehydeAryl halideEtherPhenol

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
logP
1.98Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
20035-41-0
SMILES
COC1=C(C(=C(C=C1)Br)C=O)O
InChIKey
JUPJZUTYDWXZAQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3

Weigh it out

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

Work with 6-Bromo-2-hydroxy-3-methoxybenzaldehyde

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

5-Bromovanillin2973-76-455 % similar ortho-Vanillin148-53-851 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-051 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-650 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-749 % similar 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-348 % similar 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-348 % similar 5-Bromo-2-hydroxy-3-methoxybenzaldehyde5034-74-248 % 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 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook