2-Bromo-6-nitrobenzaldehyde

C₇H₄BrNO₃CAS 20357-21-5230.02 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: 82 °C
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

20357-21-5

SMILES

O=Cc1c(Br)cccc1[N+](=O)[O-]

InChIKey

WRIAMYXQKSDDRP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2-bromo-6-nitro-

Work with 2-Bromo-6-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-Chloro-6-nitrobenzaldehyde6361-22-466 % similar 1-Bromo-2-nitrobenzene577-19-559 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-457 % similar 2-Bromo-6-nitrotoluene55289-35-556 % similar 2-Bromo-6-nitrobenzenamine59255-95-756 % similar 2-Nitrobenzaldehyde552-89-654 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-451 % similar 3-Nitropyridine-2-carbaldehyde10261-94-649 % similar

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

Same formula

4-Bromo-3-nitrobenzaldehyde163596-75-6 5-Bromo-2-nitrobenzaldehyde20357-20-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook