3-Bromo-5-nitrobenzaldehyde

C₇H₄BrNO₃CAS 355134-13-3230.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitro

Properties

Molecular formula: C₇H₄BrNO₃
Molar mass: 230.02 g/mol
Exact mass: 228.9375 Da
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

355134-13-3

SMILES

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

InChIKey

OUDCOMBHRXKPIJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H

Weigh it out

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Work with 3-Bromo-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

3,5-Dinitrobenzaldehyde14193-18-173 % similar 1-Bromo-3,5-dinitrobenzene18242-39-267 % similar 3,5-Dibromonitro benzene6311-60-067 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-257 % similar 5-Bromoisophthalaldehyde120173-41-357 % similar 3,5-Dibromobenzaldehyde56990-02-457 % similar 1-Bromo-3-chloro-5-nitrobenzene219817-43-356 % similar 3-Nitrobenzaldehyde99-61-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Nitrobenzoyl bromide13277-62-8 4-Bromo-3-nitrobenzaldehyde163596-75-6 5-Bromo-2-nitrobenzaldehyde20357-20-4 2-Bromo-6-nitrobenzaldehyde20357-21-5 4-Bromo-2-nitrobenzaldehyde5551-12-2

Elsewhere

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