4-Bromo-3-hydroxybenzaldehyde

C7H5BrO2CAS 20035-32-9201.02 g/mol

Open in Covalent MOL file
OOHBr
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5BrO2
Molar mass
201.02 g/mol
Exact mass
199.9473 Da
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20035-32-9
SMILES
C1=CC(=C(C=C1C=O)O)Br
InChIKey
USCBCBWUZOPHNV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H

Weigh it out

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Work with 4-Bromo-3-hydroxybenzaldehyde

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

Protocatechuic aldehyde139-85-564 % similar 3,4-Dibromobenzaldehyde74003-55-764 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Hydroxy-4-iodobenzaldehyde135242-71-656 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Hydroxy-4-methylbenzaldehyde57295-30-456 % similar 4-Hydroxyisophthalaldehyde3328-70-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromosalicylaldehyde1761-61-1 5-Bromosalicylaldehyde17691-61-1 3-Bromo-2-hydroxybenzaldehyde1829-34-1 2-Bromo-4-hydroxybenzaldehyde22532-60-1 2-Bromo-6-hydroxybenzaldehyde22532-61-2 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4 3-Bromo-4-hydroxybenzaldehyde2973-78-6

Elsewhere

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