4-Bromo-3-nitrobenzaldehyde

C₇H₄BrNO₃CAS 163596-75-6230.02 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
Melting point: 106 °C
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

163596-75-6

SMILES

O=Cc1ccc(Br)c([N+](=O)[O-])c1

InChIKey

SAFSVELFSYQXOV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 4-bromo-3-nitro-
4-Bromo-5-nitrobenzaldehyde

Work with 4-Bromo-3-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

4-Chloro-3-nitrobenzaldehyde16588-34-462 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-562 % similar 4-Methyl-3-nitrobenzaldehyde31680-07-662 % similar 2,5-Dibromonitrobenzene3460-18-260 % similar 1-Bromo-2,4-dinitrobenzene584-48-560 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-259 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-358 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-757 % similar

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

Same formula

3-Nitrobenzoyl bromide13277-62-8 5-Bromo-2-nitrobenzaldehyde20357-20-4 2-Bromo-6-nitrobenzaldehyde20357-21-5

Elsewhere

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