3-Bromo-2-hydroxy-5-nitrobenzaldehyde

C₇H₄BrNO₄CAS 16789-84-7246.02 g/mol

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Aldehyde Aryl halide Nitro Phenol

Properties

Molecular formula: C₇H₄BrNO₄
Molar mass: 246.02 g/mol
Exact mass: 244.9324 Da
logP: 1.88Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16789-84-7

SMILES

C1=C(C=C(C(=C1C=O)O)Br)[N+](=O)[O-]

InChIKey

BESBCGANGAEHPM-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-3,11H

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Names and synonyms

1 names

3-Bromo-5-nitrosalicylaldehyde

Work with 3-Bromo-2-hydroxy-5-nitrobenzaldehyde

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-Dibromo-4-nitrophenol99-28-573 % similar 3,5-Dinitrosalicylaldehyde2460-59-568 % similar 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-460 % similar 3,5-Dibromosalicylaldehyde90-59-557 % similar 5-Nitrosalicylaldehyde97-51-855 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-554 % similar 2-Bromo-4-nitrophenol5847-59-654 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4-nitrobenzoic acid101420-81-9 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-0 2-Bromo-4-nitrobenzoic acid16426-64-5 2-Bromo-3-nitrobenzoic acid573-54-6 3-Bromo-5-nitrobenzoic acid6307-83-1 4-Bromo-3-nitrobenzoic acid6319-40-0 5-Bromo-2-nitro-benzoic acid6950-43-2 2-Bromo-5-nitrobenzoic acid943-14-6

Elsewhere

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