chempirical

4-Bromo-3-nitrobenzenamine

C6H5BrN2O2CAS 53324-38-2217.02 g/mol

Open in Covalent MOL file
H2NBrN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
Melting point
125–126 °C
logP
1.94Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
53324-38-2
SMILES
Nc1ccc(Br)c([N+](=O)[O-])c1
InChIKey
PITHQPMZWKZGRZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

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Names and synonyms

4 names
  • Benzenamine, 4-bromo-3-nitro-
  • Aniline, 4-bromo-3-nitro-
  • 4-Bromo-3-nitroaniline
  • 5-Amino-2-bromonitrobenzene

Work with 4-Bromo-3-nitrobenzenamine

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

3,4-Dinitroaniline610-41-368 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar Nitro-P-phenylenediamine5307-14-264 % similar 1-Bromo-2,4-dinitrobenzene584-48-564 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-362 % similar 4-Methyl-3-nitroaniline119-32-460 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Fluoro-3-nitroaniline364-76-160 % similar

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

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-6-methyl-3-nitropyridine374633-31-5 2-Bromo-6-nitrobenzenamine59255-95-7 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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